Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 44271661 | 168575 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL414185 | 168575 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44271661 | 168575 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL414185 | 168575 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44271661 | 168575 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL414185 | 168575 | 0 | None | -1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 233 | 4 | 2 | 5 | 0.9 | COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 10934575 | 211265 | 0 | None | -8 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72441 | 211265 | 0 | None | -8 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 10198532 | 214475 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95523 | 214475 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44343236 | 118141 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 243 | 4 | 1 | 5 | 1.7 | c1ccc(-c2ccno2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL327005 | 118141 | 0 | None | -15 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 243 | 4 | 1 | 5 | 1.7 | c1ccc(-c2ccno2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 11506641 | 74160 | 3 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 197 | 5 | 1 | 4 | 1.5 | O=[N+]([O-])OCCCc1ccc(O)cc1 | 10.1021/jm0510530 | ||
| CHEMBL188760 | 74160 | 3 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 197 | 5 | 1 | 4 | 1.5 | O=[N+]([O-])OCCCc1ccc(O)cc1 | 10.1021/jm0510530 | ||
| 11645786 | 74061 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 339 | 7 | 1 | 6 | 3.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COCCCO[N+](=O)[O-])O2 | 10.1021/jm0510530 | ||
| CHEMBL188200 | 74061 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 339 | 7 | 1 | 6 | 3.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COCCCO[N+](=O)[O-])O2 | 10.1021/jm0510530 | ||
| 44411389 | 83932 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.8 | COc1ccc(Cc2nn(C(C)(C)C)c(=O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL207846 | 83932 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 352 | 4 | 0 | 5 | 3.8 | COc1ccc(Cc2nn(C(C)(C)C)c(=O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
| 6604803 | 123296 | 2 | None | -194 | 4 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL336161 | 123296 | 2 | None | -194 | 4 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | ||
| 11684556 | 73979 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 488 | 7 | 1 | 7 | 4.5 | CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
| CHEMBL187824 | 73979 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 488 | 7 | 1 | 7 | 4.5 | CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
| 44574078 | 185540 | 0 | None | -120 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL468711 | 185540 | 0 | None | -120 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1cncc(-c2ccccc2[C@@H]2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 11372301 | 74330 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 376 | 7 | 1 | 7 | 1.9 | O=S(=O)(c1ccccc1)c1c(OCCCc2ccc(O)cc2)no[n+]1[O-] | 10.1021/jm0510530 | ||
| CHEMBL189804 | 74330 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 376 | 7 | 1 | 7 | 1.9 | O=S(=O)(c1ccccc1)c1c(OCCCc2ccc(O)cc2)no[n+]1[O-] | 10.1021/jm0510530 | ||
| 10221081 | 130878 | 1 | None | 10 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0510530 | ||
| CHEMBL363325 | 130878 | 1 | None | 10 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 270 | 4 | 0 | 6 | 0.5 | CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 | 10.1021/jm0510530 | ||
| 1960 | 9632 | 67 | None | 1 | 19 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 439260 | 9632 | 67 | None | 1 | 19 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 505 | 9632 | 67 | None | 1 | 19 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| CHEMBL1437 | 9632 | 67 | None | 1 | 19 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| DB00368 | 9632 | 67 | None | 1 | 19 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | ||
| 44362146 | 171713 | 1 | None | -50 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1ccc(-c2ccsc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL422477 | 171713 | 1 | None | -50 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1ccc(-c2ccsc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 11645786 | 74061 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 339 | 7 | 1 | 6 | 3.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COCCCO[N+](=O)[O-])O2 | 10.1021/jm0510530 | ||
| CHEMBL188200 | 74061 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 339 | 7 | 1 | 6 | 3.0 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COCCCO[N+](=O)[O-])O2 | 10.1021/jm0510530 | ||
| 44411100 | 83920 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 318 | 2 | 0 | 3 | 3.8 | Cn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL207779 | 83920 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 318 | 2 | 0 | 3 | 3.8 | Cn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 2765 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| 515 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL13852 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| DB09202 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(02)00753-9 | ||
| 2765 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| 515 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL13852 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| DB09202 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493263 | 104860 | 0 | None | -100 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 270 | 5 | 2 | 6 | 1.4 | CCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL273316 | 104860 | 0 | None | -100 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 270 | 5 | 2 | 6 | 1.4 | CCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 2765 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| 515 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL13852 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| DB09202 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00822-8 | ||
| 2765 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 515 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL13852 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| DB09202 | 7730 | 19 | None | -28 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44410832 | 84033 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 242 | 6 | 1 | 6 | 0.8 | O=[N+]([O-])OCC(Cc1ccc(O)cc1)[N+](=O)[O-] | 10.1021/jm0510530 | ||
| CHEMBL207967 | 84033 | 0 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 242 | 6 | 1 | 6 | 0.8 | O=[N+]([O-])OCC(Cc1ccc(O)cc1)[N+](=O)[O-] | 10.1021/jm0510530 | ||
| 44411312 | 84526 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 3.7 | CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL209043 | 84526 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 3.7 | CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 44449692 | 163764 | 0 | None | -8 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 251 | 2 | 1 | 3 | 3.1 | c1cc(-c2ncco2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL407308 | 163764 | 0 | None | -8 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 251 | 2 | 1 | 3 | 3.1 | c1cc(-c2ncco2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| 15959083 | 83781 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccccc2Cl)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL207120 | 83781 | 0 | None | - | 1 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccccc2Cl)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 15959085 | 145058 | 1 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 300 | 2 | 0 | 3 | 3.7 | Cn1nc(Cc2cccc3ccccc23)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL377068 | 145058 | 1 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 300 | 2 | 0 | 3 | 3.7 | Cn1nc(Cc2cccc3ccccc23)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 44574075 | 179355 | 0 | None | -72 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL448802 | 179355 | 0 | None | -72 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 251 | 2 | 0 | 4 | 2.9 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44362208 | 42207 | 1 | None | -15 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1csc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL143801 | 42207 | 1 | None | -15 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 258 | 4 | 1 | 4 | 2.8 | c1csc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 9816515 | 69752 | 0 | None | -5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17856 | 69752 | 0 | None | -5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44329133 | 214480 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.5 | CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95565 | 214480 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 274 | 6 | 3 | 4 | 1.5 | CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 44329796 | 215158 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 275 | 7 | 2 | 5 | 2.1 | CCCCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL99559 | 215158 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 275 | 7 | 2 | 5 | 2.1 | CCCCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 11502000 | 146968 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 390 | 5 | 2 | 7 | 1.3 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 | 10.1021/jm0510530 | ||
| CHEMBL380475 | 146968 | 0 | None | - | 1 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 390 | 5 | 2 | 7 | 1.3 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 | 10.1021/jm0510530 | ||
| 2146 | 9874 | 67 | None | -17 | 15 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 485 | 9874 | 67 | None | -17 | 15 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 6041 | 9874 | 67 | None | -17 | 15 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| CHEMBL1215 | 9874 | 67 | None | -17 | 15 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| DB00388 | 9874 | 67 | None | -17 | 15 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | ||
| 9795167 | 114271 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL318544 | 114271 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44362185 | 127807 | 0 | None | -19 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL356605 | 127807 | 0 | None | -19 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 9795167 | 114271 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL318544 | 114271 | 0 | None | -6 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 22493318 | 51531 | 0 | None | -34 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 241 | 4 | 2 | 4 | 2.4 | c1coc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL152155 | 51531 | 0 | None | -34 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 241 | 4 | 2 | 4 | 2.4 | c1coc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44369351 | 126380 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 257 | 4 | 2 | 4 | 2.8 | c1csc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL346380 | 126380 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 257 | 4 | 2 | 4 | 2.8 | c1csc(-c2ccccc2NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 9816460 | 126671 | 0 | None | -39 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1ccc(-c2cnccn2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL349082 | 126671 | 0 | None | -39 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1ccc(-c2cnccn2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 44343410 | 18327 | 2 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL118055 | 18327 | 2 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 22493365 | 105240 | 0 | None | -15 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cn[nH]c2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL275844 | 105240 | 0 | None | -15 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cn[nH]c2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493258 | 105440 | 0 | None | -5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL277375 | 105440 | 0 | None | -5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 15959081 | 145675 | 6 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccccc2Cl)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL378274 | 145675 | 6 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccccc2Cl)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| 11502000 | 146968 | 0 | None | - | 1 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 390 | 5 | 2 | 7 | 1.3 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 | 10.1021/jm0510530 | ||
| CHEMBL380475 | 146968 | 0 | None | - | 1 | Rat | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 390 | 5 | 2 | 7 | 1.3 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN(C)Cc1no[n+]([O-])c1C(N)=O)O2 | 10.1021/jm0510530 | ||
| 44271932 | 71985 | 0 | None | -31 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL18256 | 71985 | 0 | None | -31 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1ccnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493320 | 10976 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 246 | 4 | 2 | 4 | 0.8 | CN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL100198 | 10976 | 0 | None | -10 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 246 | 4 | 2 | 4 | 0.8 | CN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 11109088 | 210959 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70751 | 210959 | 0 | None | -6 | 5 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 22493280 | 55049 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL155327 | 55049 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11140347 | 211312 | 1 | None | -11 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72768 | 211312 | 1 | None | -11 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11669259 | 84113 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 436 | 9 | 1 | 9 | 1.9 | COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O | 10.1021/jm0510530 | ||
| CHEMBL208390 | 84113 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 436 | 9 | 1 | 9 | 1.9 | COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O | 10.1021/jm0510530 | ||
| 15959115 | 210404 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 310 | 4 | 0 | 5 | 2.5 | COc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL67126 | 210404 | 0 | None | - | 1 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 310 | 4 | 0 | 5 | 2.5 | COc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
| 22933 | 83488 | 17 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 166 | 5 | 0 | 6 | -0.2 | CC(CO[N+](=O)[O-])O[N+](=O)[O-] | 10.1021/jm0510530 | ||
| CHEMBL206527 | 83488 | 17 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 166 | 5 | 0 | 6 | -0.2 | CC(CO[N+](=O)[O-])O[N+](=O)[O-] | 10.1021/jm0510530 | ||
| 44362149 | 40706 | 0 | None | -5 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2ccns2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142387 | 40706 | 0 | None | -5 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2ccns2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 9859855 | 67171 | 0 | None | -12 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 254 | 4 | 2 | 4 | 2.1 | Cn1cccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17492 | 67171 | 0 | None | -12 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 254 | 4 | 2 | 4 | 2.1 | Cn1cccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493265 | 68908 | 0 | None | -19 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 284 | 6 | 2 | 6 | 1.8 | CCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17776 | 68908 | 0 | None | -19 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 284 | 6 | 2 | 6 | 1.8 | CCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44329701 | 214457 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 1.9 | CC(C)COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95398 | 214457 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 275 | 6 | 2 | 5 | 1.9 | CC(C)COC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 4038180 | 6992 | 14 | None | -457 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 480 | 6992 | 14 | None | -457 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| CHEMBL109783 | 6992 | 14 | None | -457 | 6 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | ||
| 15959119 | 83831 | 0 | None | 1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 3.8 | C=CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL207277 | 83831 | 0 | None | 1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 310 | 4 | 0 | 3 | 3.8 | C=CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 44574134 | 185283 | 0 | None | -91 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL466634 | 185283 | 0 | None | -91 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 0 | 4 | 3.0 | Fc1ccc(-c2ncco2)c(C2Cc3nccn3C2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 44574135 | 195957 | 0 | None | -18 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2ccn[nH]2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL511211 | 195957 | 0 | None | -18 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 268 | 2 | 1 | 3 | 2.8 | Fc1ccc(C2Cc3nccn3C2)c(-c2ccn[nH]2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 22493415 | 56747 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 268 | 4 | 3 | 6 | 1.1 | Nc1nccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL156893 | 56747 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 268 | 4 | 3 | 6 | 1.1 | Nc1nccc(-c2ccccc2NCC2=NCCN2)n1 | 10.1016/s0960-894x(01)00822-8 | ||
| 15959112 | 210311 | 0 | None | 1 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 5 | 2.7 | Oc1nnc(Cc2ccc3c(c2)OCO3)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL66433 | 210311 | 0 | None | 1 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 280 | 2 | 1 | 5 | 2.7 | Oc1nnc(Cc2ccc3c(c2)OCO3)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| 15959093 | 84103 | 1 | None | - | 1 | Rat | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 391 | 4 | 0 | 5 | 4.5 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1-c1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL208355 | 84103 | 1 | None | - | 1 | Rat | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 391 | 4 | 0 | 5 | 4.5 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1-c1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2006.02.003 | ||
| 22493236 | 67170 | 0 | None | -5 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 242 | 4 | 3 | 5 | 0.9 | c1ccc(-c2nc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17491 | 67170 | 0 | None | -5 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 242 | 4 | 3 | 5 | 0.9 | c1ccc(-c2nc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44574986 | 195989 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 202 | 1 | 0 | 2 | 2.4 | Fc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL511411 | 195989 | 0 | None | -7 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 202 | 1 | 0 | 2 | 2.4 | Fc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 44343244 | 16724 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 241 | 3 | 3 | 4 | 2.0 | Oc1ccc2cccc(NCC3=NCCN3)c2c1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL114669 | 16724 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 241 | 3 | 3 | 4 | 2.0 | Oc1ccc2cccc(NCC3=NCCN3)c2c1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44362196 | 41262 | 1 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2nccs2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142871 | 41262 | 1 | None | -12 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 259 | 4 | 1 | 5 | 2.2 | c1ccc(-c2nccs2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 44410820 | 83857 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 186 | 3 | 1 | 5 | -1.5 | CN(C)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
| CHEMBL207437 | 83857 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 186 | 3 | 1 | 5 | -1.5 | CN(C)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
| 22493379 | 214905 | 0 | None | -6 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 5 | 3 | 4 | 1.2 | CC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL98016 | 214905 | 0 | None | -6 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 260 | 5 | 3 | 4 | 1.2 | CC(C)NC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 9903932 | 66284 | 0 | None | -501 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 5 | 2 | 6 | 1.9 | CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL17151 | 66284 | 0 | None | -501 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 5 | 2 | 6 | 1.9 | CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44449730 | 162887 | 0 | None | -22 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2cn[nH]c2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL406316 | 162887 | 0 | None | -22 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2cn[nH]c2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| 44449686 | 102859 | 0 | None | -7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 267 | 2 | 1 | 3 | 3.6 | c1cc(-c2nccs2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL260116 | 102859 | 0 | None | -7 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 267 | 2 | 1 | 3 | 3.6 | c1cc(-c2nccs2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| 11140345 | 210950 | 0 | None | -4 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL70692 | 210950 | 0 | None | -4 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44410938 | 147461 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 354 | 6 | 1 | 6 | 3.4 | CC(C)(C)c1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
| CHEMBL381519 | 147461 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 354 | 6 | 1 | 6 | 3.4 | CC(C)(C)c1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
| 44449245 | 102188 | 0 | None | -6 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2ccn[nH]2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL256983 | 102188 | 0 | None | -6 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 250 | 2 | 2 | 2 | 2.9 | c1cc(-c2ccn[nH]2)c2c(c1)C(c1ncc[nH]1)CC2 | 10.1016/j.bmcl.2008.03.070 | ||
| 44574877 | 185320 | 0 | None | -23 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.7 | COc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL466869 | 185320 | 0 | None | -23 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 228 | 2 | 1 | 2 | 2.7 | COc1ccccc1C1CCc2nc[nH]c2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 11372301 | 74330 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 7 | 1 | 7 | 1.9 | O=S(=O)(c1ccccc1)c1c(OCCCc2ccc(O)cc2)no[n+]1[O-] | 10.1021/jm0510530 | ||
| CHEMBL189804 | 74330 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 7 | 1 | 7 | 1.9 | O=S(=O)(c1ccccc1)c1c(OCCCc2ccc(O)cc2)no[n+]1[O-] | 10.1021/jm0510530 | ||
| 17804479 | 102435 | 19 | None | 1 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL258007 | 102435 | 19 | None | 1 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 198 | 1 | 1 | 1 | 2.9 | c1ccc2c(c1)CCCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44574935 | 179401 | 0 | None | -19 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL449284 | 179401 | 0 | None | -19 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 218 | 1 | 0 | 2 | 2.9 | Clc1ccccc1C1Cc2nccn2C1 | 10.1016/j.bmcl.2009.03.162 | ||
| 749966 | 210565 | 21 | None | 2 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 296 | 4 | 1 | 5 | 2.9 | COc1ccc(Cc2nnc(O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL68230 | 210565 | 21 | None | 2 | 2 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 296 | 4 | 1 | 5 | 2.9 | COc1ccc(Cc2nnc(O)c3ccccc23)cc1OC | 10.1016/j.bmcl.2006.02.003 | ||
| 44574074 | 196248 | 0 | None | -977 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 262 | 2 | 0 | 4 | 2.7 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL513691 | 196248 | 0 | None | -977 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 262 | 2 | 0 | 4 | 2.7 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 22493367 | 72959 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 298 | 7 | 2 | 6 | 2.2 | CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL18436 | 72959 | 0 | None | -1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 298 | 7 | 2 | 6 | 2.2 | CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 22493231 | 214444 | 0 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 1.7 | O=C(c1ccccc1NCC1=NCCN1)N1CCCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL95333 | 214444 | 0 | None | -5 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 286 | 4 | 2 | 4 | 1.7 | O=C(c1ccccc1NCC1=NCCN1)N1CCCCC1 | 10.1016/s0960-894x(01)00569-8 | ||
| 11507836 | 74003 | 0 | None | - | 1 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 309 | 5 | 1 | 4 | 4.1 | CC(C)(C)c1cc(CCCO[N+](=O)[O-])cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
| CHEMBL187933 | 74003 | 0 | None | - | 1 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 309 | 5 | 1 | 4 | 4.1 | CC(C)(C)c1cc(CCCO[N+](=O)[O-])cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
| 22493392 | 53929 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL154298 | 53929 | 0 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11604114 | 83860 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 2.8 | CN(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
| CHEMBL207448 | 83860 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 2.8 | CN(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
| 12307 | 74121 | 37 | None | - | 1 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 105 | 3 | 0 | 3 | 0.6 | CCCO[N+](=O)[O-] | 10.1021/jm0510530 | ||
| CHEMBL188554 | 74121 | 37 | None | - | 1 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 105 | 3 | 0 | 3 | 0.6 | CCCO[N+](=O)[O-] | 10.1021/jm0510530 | ||
| 11034737 | 211307 | 0 | None | -7 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL72724 | 211307 | 0 | None | -7 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 11522042 | 210458 | 1 | None | 1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL67457 | 210458 | 1 | None | 1 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 284 | 2 | 0 | 3 | 3.2 | Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 11615834 | 83814 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 7 | 1 | 6 | 1.6 | COc1cc(CCCO[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
| CHEMBL207183 | 83814 | 0 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 7 | 1 | 6 | 1.6 | COc1cc(CCCO[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
| 11397014 | 129680 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 460 | 5 | 1 | 8 | 2.9 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2 | 10.1021/jm0510530 | ||
| CHEMBL360593 | 129680 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 460 | 5 | 1 | 8 | 2.9 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2 | 10.1021/jm0510530 | ||
| 13190952 | 83815 | 5 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 286 | 2 | 1 | 3 | 4.1 | Oc1nnc(Cc2cccc3ccccc23)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL207189 | 83815 | 5 | None | - | 1 | Rat | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 286 | 2 | 1 | 3 | 4.1 | Oc1nnc(Cc2cccc3ccccc23)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| 44369431 | 52129 | 0 | None | -57 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccsc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL152693 | 52129 | 0 | None | -57 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 3.1 | Cc1ccsc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11684556 | 73979 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 488 | 7 | 1 | 7 | 4.5 | CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
| CHEMBL187824 | 73979 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 488 | 7 | 1 | 7 | 4.5 | CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1O | 10.1021/jm0510530 | ||
| 15959114 | 82349 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 318 | 2 | 0 | 3 | 3.8 | Cn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL204632 | 82349 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 318 | 2 | 0 | 3 | 3.8 | Cn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 44410833 | 147319 | 0 | None | - | 1 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 302 | 8 | 1 | 8 | 0.8 | COc1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
| CHEMBL381054 | 147319 | 0 | None | - | 1 | Rat | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 302 | 8 | 1 | 8 | 0.8 | COc1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
| 44362194 | 41156 | 1 | None | -10 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1ccc(-c2ccoc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL142784 | 41156 | 1 | None | -10 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 1 | 4 | 2.3 | c1ccc(-c2ccoc2)c(OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 11098175 | 210949 | 0 | None | -3 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| CHEMBL70691 | 210949 | 0 | None | -3 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | ||
| 22493352 | 55048 | 0 | None | -2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL155326 | 55048 | 0 | None | -2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | ||
| 11669259 | 84113 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 436 | 9 | 1 | 9 | 1.9 | COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O | 10.1021/jm0510530 | ||
| CHEMBL208390 | 84113 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 436 | 9 | 1 | 9 | 1.9 | COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O | 10.1021/jm0510530 | ||
| 11000184 | 19824 | 0 | None | -15 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL1190038 | 19824 | 0 | None | -15 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540035 | 19824 | 0 | None | -15 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 15959118 | 83844 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 5 | 0 | 5 | 3.0 | CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL207325 | 83844 | 0 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 324 | 5 | 0 | 5 | 3.0 | CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 15959089 | 146104 | 1 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 352 | 7 | 0 | 5 | 3.8 | CCCCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL379270 | 146104 | 1 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 352 | 7 | 0 | 5 | 3.8 | CCCCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 15959111 | 144940 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 282 | 3 | 1 | 4 | 3.6 | CSc1ccc(Cc2nnc(O)c3ccccc23)cc1 | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL376932 | 144940 | 2 | None | - | 1 | Rat | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 282 | 3 | 1 | 4 | 3.6 | CSc1ccc(Cc2nnc(O)c3ccccc23)cc1 | 10.1016/j.bmcl.2006.02.003 | ||
| 44362195 | 127867 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL357129 | 127867 | 0 | None | -2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | ||
| 22493343 | 70745 | 0 | None | -31 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 4 | 2 | 6 | 0.9 | Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| CHEMBL18069 | 70745 | 0 | None | -31 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 256 | 4 | 2 | 6 | 0.9 | Cn1ncnc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | ||
| 44329790 | 119323 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 247 | 5 | 2 | 5 | 1.3 | CCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL329928 | 119323 | 0 | None | -5 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 247 | 5 | 2 | 5 | 1.3 | CCOC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 9903313 | 179457 | 0 | None | -6 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL450018 | 179457 | 0 | None | -6 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 10103414 | 83312 | 15 | None | 1 | 3 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0510530 | ||
| CHEMBL206100 | 83312 | 15 | None | 1 | 3 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 159 | 2 | 2 | 5 | -2.1 | NC(=O)c1c(CO)no[n+]1[O-] | 10.1021/jm0510530 | ||
| 44449725 | 102965 | 0 | None | -208 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 264 | 2 | 2 | 2 | 3.2 | Cc1n[nH]cc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| CHEMBL260720 | 102965 | 0 | None | -208 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 264 | 2 | 2 | 2 | 3.2 | Cc1n[nH]cc1-c1cccc2c1CCC2c1ncc[nH]1 | 10.1016/j.bmcl.2008.03.070 | ||
| 44410833 | 147319 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 302 | 8 | 1 | 8 | 0.8 | COc1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
| CHEMBL381054 | 147319 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 302 | 8 | 1 | 8 | 0.8 | COc1cc(CC(CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O | 10.1021/jm0510530 | ||
| 44410832 | 84033 | 0 | None | - | 1 | Rat | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 242 | 6 | 1 | 6 | 0.8 | O=[N+]([O-])OCC(Cc1ccc(O)cc1)[N+](=O)[O-] | 10.1021/jm0510530 | ||
| CHEMBL207967 | 84033 | 0 | None | - | 1 | Rat | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 242 | 6 | 1 | 6 | 0.8 | O=[N+]([O-])OCC(Cc1ccc(O)cc1)[N+](=O)[O-] | 10.1021/jm0510530 | ||
| 44574079 | 196088 | 0 | None | -8 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ccncc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL512289 | 196088 | 0 | None | -8 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 261 | 2 | 0 | 3 | 3.3 | c1ccc([C@@H]2Cc3nccn3C2)c(-c2ccncc2)c1 | 10.1016/j.bmcl.2009.03.166 | ||
| 11397014 | 129680 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 5 | 1 | 8 | 2.9 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2 | 10.1021/jm0510530 | ||
| CHEMBL360593 | 129680 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 460 | 5 | 1 | 8 | 2.9 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)O2 | 10.1021/jm0510530 | ||
| 11108001 | 17644 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL117248 | 17644 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL540542 | 17644 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | ||
| 44574045 | 196065 | 0 | None | -60 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 260 | 2 | 0 | 2 | 3.9 | c1ccc(-c2ccccc2[C@@H]2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.166 | ||
| CHEMBL512062 | 196065 | 0 | None | -60 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 260 | 2 | 0 | 2 | 3.9 | c1ccc(-c2ccccc2[C@@H]2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.166 | ||
| 12764879 | 185202 | 0 | None | -100 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| CHEMBL465963 | 185202 | 0 | None | -100 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.2 | c1ccc(C2Cc3nccn3C2)cc1 | 10.1016/j.bmcl.2009.03.162 | ||
| 11604114 | 83860 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 2.8 | CN(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
| CHEMBL207448 | 83860 | 0 | None | - | 1 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 2.8 | CN(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1no[n+]([O-])c1C(N)=O | 10.1021/jm0510530 | ||
| 44343247 | 117412 | 0 | None | -15 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| CHEMBL325745 | 117412 | 0 | None | -15 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | ||
| 22493224 | 215124 | 4 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 246 | 5 | 3 | 4 | 0.9 | CCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| CHEMBL99362 | 215124 | 4 | None | -6 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 246 | 5 | 3 | 4 | 0.9 | CCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | ||
| 104452 | 209880 | 73 | None | 4 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccc(Cl)cc2)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL63976 | 209880 | 73 | None | 4 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 270 | 2 | 1 | 3 | 3.6 | Oc1nnc(Cc2ccc(Cl)cc2)c2ccccc12 | 10.1016/j.bmcl.2006.02.003 | ||
| 44352155 | 123586 | 0 | None | -100 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
| CHEMBL337862 | 123586 | 0 | None | -100 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 251 | 4 | 2 | 3 | 2.8 | c1ccc(-c2ccccc2NCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | ||
| 11108001 | 17644 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL117248 | 17644 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL540542 | 17644 | 2 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 22493289 | 56462 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| CHEMBL156661 | 56462 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | ||
| 124 | 9755 | 47 | None | -4168 | 25 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 2032 | 9755 | 47 | None | -4168 | 25 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 4636 | 9755 | 47 | None | -4168 | 25 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| CHEMBL762 | 9755 | 47 | None | -4168 | 25 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| DB00935 | 9755 | 47 | None | -4168 | 25 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | ||
| 11097789 | 109775 | 1 | None | -1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| CHEMBL306792 | 109775 | 1 | None | -1 | 5 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | ||
| 44411120 | 83313 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 296 | 3 | 0 | 4 | 3.2 | CSc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1 | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL206101 | 83313 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 296 | 3 | 0 | 4 | 3.2 | CSc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1 | 10.1016/j.bmcl.2006.02.003 | ||
| 15959084 | 210587 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 294 | 2 | 0 | 5 | 2.3 | Cn1nc(Cc2ccc3c(c2)OCO3)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL68362 | 210587 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 294 | 2 | 0 | 5 | 2.3 | Cn1nc(Cc2ccc3c(c2)OCO3)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 15959121 | 83807 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 336 | 6 | 0 | 5 | 3.2 | C=CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| CHEMBL207170 | 83807 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 336 | 6 | 0 | 5 | 3.2 | C=CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O | 10.1016/j.bmcl.2006.02.003 | ||
| 127044912 | 147206 | 0 | None | 26 | 3 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 501 | 14 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809093 | 147206 | 0 | None | 26 | 3 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 501 | 14 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| 129211 | 10521 | 78 | None | 1 | 14 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| 2562 | 10521 | 78 | None | 1 | 14 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| 488 | 10521 | 78 | None | 1 | 14 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL836 | 10521 | 78 | None | 1 | 14 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| DB00706 | 10521 | 78 | None | 1 | 14 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2020.112616 | ||
| 123667086 | 147177 | 0 | None | 8 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 573 | 13 | 3 | 6 | 3.8 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Br)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808726 | 147177 | 0 | None | 8 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 573 | 13 | 3 | 6 | 3.8 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Br)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 124018870 | 147189 | 0 | None | 7 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1ccc(F)cc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808896 | 147189 | 0 | None | 7 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1ccc(F)cc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 123387804 | 147199 | 0 | None | 52 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 423 | 12 | 3 | 5 | 3.3 | CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808999 | 147199 | 0 | None | 52 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 423 | 12 | 3 | 5 | 3.3 | CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 127044911 | 147226 | 0 | None | 10 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 425 | 12 | 3 | 6 | 2.7 | COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809319 | 147226 | 0 | None | 10 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 425 | 12 | 3 | 6 | 2.7 | COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123562321 | 147289 | 0 | None | -1 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810110 | 147289 | 0 | None | -1 | 3 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 129211 | 10521 | 78 | None | 1 | 14 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| 2562 | 10521 | 78 | None | 1 | 14 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| 488 | 10521 | 78 | None | 1 | 14 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL836 | 10521 | 78 | None | 1 | 14 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| DB00706 | 10521 | 78 | None | 1 | 14 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.6b01217 | ||
| 127045050 | 147171 | 0 | None | 5 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 503 | 14 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808632 | 147171 | 0 | None | 5 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 503 | 14 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCc1ccccc1 | 10.1021/acs.jmedchem.5b02023 | ||
| 127044916 | 147260 | 0 | None | -1 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809676 | 147260 | 0 | None | -1 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 443 | 12 | 3 | 6 | 2.9 | COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 145946682 | 174353 | 0 | None | 10 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4225239 | 174353 | 0 | None | 10 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4300633 | 174353 | 0 | None | 10 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 444 | 7 | 0 | 3 | 5.6 | Fc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| 11536337 | 79386 | 1 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1oc2ccc(O)cc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| CHEMBL199397 | 79386 | 1 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1oc2ccc(O)cc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| 117839022 | 147309 | 0 | None | -407 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810346 | 147309 | 0 | None | -407 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 9891967 | 114302 | 34 | None | -4 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3187195 | 114302 | 34 | None | -4 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123472560 | 147272 | 0 | None | -616 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809840 | 147272 | 0 | None | -616 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123688273 | 147259 | 0 | None | -36 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 13 | 3 | 6 | 3.2 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809630 | 147259 | 0 | None | -36 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 513 | 13 | 3 | 6 | 3.2 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 134147190 | 156577 | 0 | None | -3 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 334 | 0 | 2 | 4 | 3.3 | Oc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3948551 | 156577 | 0 | None | -3 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 334 | 0 | 2 | 4 | 3.3 | Oc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 127044894 | 147145 | 0 | None | -3 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 427 | 12 | 3 | 6 | 2.1 | COc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808408 | 147145 | 0 | None | -3 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 427 | 12 | 3 | 6 | 2.1 | COc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 9913616 | 147161 | 6 | None | -8 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 493 | 13 | 3 | 6 | 3.7 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808572 | 147161 | 6 | None | -8 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 493 | 13 | 3 | 6 | 3.7 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123752717 | 147248 | 0 | None | -26 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1cc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809500 | 147248 | 0 | None | -26 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1cc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123475619 | 147269 | 0 | None | -43 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 12 | 3 | 6 | 3.5 | COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809794 | 147269 | 0 | None | -43 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 12 | 3 | 6 | 3.5 | COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123204312 | 147250 | 0 | None | -74 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 11 | 3 | 5 | 2.7 | Cc1cccc(C)c1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809532 | 147250 | 0 | None | -74 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 11 | 3 | 5 | 2.7 | Cc1cccc(C)c1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 156767238 | 190116 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 10 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL4797460 | 190116 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 10 | 1 | 5 | 4.3 | COc1ccccc1N1CCN(CCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| 156767231 | 190081 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 453 | 10 | 1 | 4 | 5.3 | O=C(O)CCCc1cn(CCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL4797051 | 190081 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 453 | 10 | 1 | 4 | 5.3 | O=C(O)CCCc1cn(CCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
| 156767236 | 189736 | 0 | None | -9 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 449 | 11 | 1 | 5 | 4.7 | COc1ccccc1N1CCN(CCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL4792905 | 189736 | 0 | None | -9 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 449 | 11 | 1 | 5 | 4.7 | COc1ccccc1N1CCN(CCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| 123437117 | 147147 | 0 | None | -23 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 461 | 12 | 3 | 6 | 2.8 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808417 | 147147 | 0 | None | -23 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 461 | 12 | 3 | 6 | 2.8 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 445154 | 10093 | 127 | None | 1 | 2 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 3 | 3.0 | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O | 10.1016/j.bmcl.2005.10.013 | ||
| 8741 | 10093 | 127 | None | 1 | 2 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 3 | 3.0 | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O | 10.1016/j.bmcl.2005.10.013 | ||
| CHEMBL165 | 10093 | 127 | None | 1 | 2 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 3 | 3.0 | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O | 10.1016/j.bmcl.2005.10.013 | ||
| DB02709 | 10093 | 127 | None | 1 | 2 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 228 | 2 | 3 | 3 | 3.0 | Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O | 10.1016/j.bmcl.2005.10.013 | ||
| 10160408 | 147218 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 439 | 13 | 3 | 6 | 3.1 | CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809248 | 147218 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 439 | 13 | 3 | 6 | 3.1 | CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123415538 | 147155 | 0 | None | -8 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 11 | 3 | 5 | 3.6 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808511 | 147155 | 0 | None | -8 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 11 | 3 | 5 | 3.6 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| 10606263 | 148329 | 0 | None | 81 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(CNCCCCCCNCCSSCCNCCCCCCNCc5ccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL384790 | 148329 | 0 | None | 81 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(CNCCCCCCNCCSSCCNCCCCCCNCc5ccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 76071739 | 149575 | 0 | None | -501 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3892879 | 149575 | 0 | None | -501 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)C[C@H]1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 10630100 | 103376 | 0 | None | 186 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccccc4CNCCCCCCNCCSSCCNCCCCCCNCc4ccccc4C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL263289 | 103376 | 0 | None | 186 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4ccccc4CNCCCCCCNCCSSCCNCCCCCCNCc4ccccc4C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 4151 | 10379 | 89 | None | -5 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| 493 | 10379 | 89 | None | -5 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| 5312125 | 10379 | 89 | None | -5 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL24778 | 10379 | 89 | None | -5 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| DB06207 | 10379 | 89 | None | -5 | 10 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.5b02023 | ||
| 123368349 | 147211 | 0 | None | -95 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 505 | 12 | 3 | 6 | 2.9 | COc1cc(Br)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809175 | 147211 | 0 | None | -95 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 505 | 12 | 3 | 6 | 2.9 | COc1cc(Br)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 145946986 | 174384 | 0 | None | 3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4227241 | 174384 | 0 | None | 3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4300995 | 174384 | 0 | None | 3 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 7 | 0 | 3 | 6.2 | Clc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| 10034371 | 172759 | 0 | None | 676 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL1203235 | 172759 | 0 | None | 676 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL425267 | 172759 | 0 | None | 676 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CNCCCCCCNCCSSCCNCCCCCCNCc4ccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)cc4)cc3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 123141715 | 147313 | 0 | None | -2 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 12 | 3 | 6 | 3.4 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810401 | 147313 | 0 | None | -2 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 12 | 3 | 6 | 3.4 | COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 156767234 | 189375 | 0 | None | -10 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 467 | 11 | 1 | 4 | 5.7 | O=C(O)CCCc1cn(CCCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL4788144 | 189375 | 0 | None | -10 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 467 | 11 | 1 | 4 | 5.7 | O=C(O)CCCc1cn(CCCCCN2CCN(c3ccccc3Cl)CC2)c2ccccc12 | 10.1016/j.ejmech.2020.112616 | ||
| 123311113 | 147299 | 0 | None | -91 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 523 | 14 | 3 | 6 | 3.6 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810187 | 147299 | 0 | None | -91 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 523 | 14 | 3 | 6 | 3.6 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 127044893 | 147186 | 0 | None | -2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 11 | 3 | 5 | 2.4 | Cc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808878 | 147186 | 0 | None | -2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 411 | 11 | 3 | 5 | 2.4 | Cc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 127043026 | 147225 | 0 | None | -8 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809314 | 147225 | 0 | None | -8 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 156767239 | 189179 | 0 | None | -38 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 463 | 12 | 1 | 5 | 5.1 | COc1ccccc1N1CCN(CCCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| CHEMBL4785526 | 189179 | 0 | None | -38 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 463 | 12 | 1 | 5 | 5.1 | COc1ccccc1N1CCN(CCCCCn2cc(CCCC(=O)O)c3ccccc32)CC1 | 10.1016/j.ejmech.2020.112616 | ||
| 123986550 | 147176 | 0 | None | -223 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 521 | 14 | 3 | 6 | 4.2 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808717 | 147176 | 0 | None | -223 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 521 | 14 | 3 | 6 | 4.2 | CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 44406314 | 79613 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1oc2cc(O)ccc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| CHEMBL200198 | 79613 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 270 | 1 | 3 | 5 | 2.6 | O=c1oc2cc(O)ccc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| 44406313 | 79489 | 3 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 298 | 3 | 1 | 5 | 3.2 | COc1cc(OC)cc(-c2cc3ccc(O)cc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| CHEMBL199788 | 79489 | 3 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 298 | 3 | 1 | 5 | 3.2 | COc1cc(OC)cc(-c2cc3ccc(O)cc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| 10034370 | 163771 | 0 | None | 10 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL1203232 | 163771 | 0 | None | 10 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL407315 | 163771 | 0 | None | 10 | 3 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CNCCCCCCNCCSSCCNCCCCCCNCc4cccc(C(=O)N(C)CCCCCCN(C)c5nc(N)c6cc(OC)c(OC)cc6n5)c4)c3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 134142282 | 152468 | 0 | None | -229 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3916182 | 152468 | 0 | None | -229 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 348 | 1 | 1 | 4 | 3.6 | COc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 123644751 | 147281 | 0 | None | -125 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810005 | 147281 | 0 | None | -125 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 44406275 | 79530 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.5 | COc1cc(OC)cc(-c2cc3cc(OC)ccc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| CHEMBL199904 | 79530 | 0 | None | - | 1 | Rat | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.5 | COc1cc(OC)cc(-c2cc3cc(OC)ccc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| 123378354 | 147165 | 0 | None | -6 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 493 | 11 | 3 | 5 | 3.0 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808595 | 147165 | 0 | None | -6 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 493 | 11 | 3 | 5 | 3.0 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br | 10.1021/acs.jmedchem.5b02023 | ||
| 145947047 | 174414 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4227513 | 174414 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4301557 | 174414 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 7 | 0 | 2 | 6.6 | c1ccc(C2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| 127044906 | 147196 | 0 | None | -7 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3808981 | 147196 | 0 | None | -7 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 529 | 13 | 3 | 6 | 3.7 | C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 123322716 | 147301 | 0 | None | -17 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 12 | 3 | 5 | 2.7 | CCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810198 | 147301 | 0 | None | -17 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 425 | 12 | 3 | 5 | 2.7 | CCc1ccccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 86344174 | 147246 | 0 | None | -251 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809490 | 147246 | 0 | None | -251 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 507 | 13 | 3 | 6 | 4.0 | Cc1ccc(OCC(F)(F)F)c(OCCN[C@H](C)Cc2cc(C(N)=O)c3c(ccn3CCCO)c2)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123183757 | 147255 | 0 | None | -10 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1cc(F)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809600 | 147255 | 0 | None | -10 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 445 | 12 | 3 | 6 | 2.3 | COc1cc(F)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 44347716 | 23080 | 0 | None | 3 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1 | 10.1021/jm000995w | ||
| CHEMBL122621 | 23080 | 0 | None | 3 | 3 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1 | 10.1021/jm000995w | ||
| 123801568 | 147267 | 0 | None | -190 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 11 | 3 | 7 | 1.9 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809781 | 147267 | 0 | None | -190 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 441 | 11 | 3 | 7 | 1.9 | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc2c(c1)OCO2 | 10.1021/acs.jmedchem.5b02023 | ||
| 44406315 | 79425 | 0 | None | - | 1 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.5 | COc1cc(OC)cc(-c2cc3ccc(OC)cc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| CHEMBL199527 | 79425 | 0 | None | - | 1 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 312 | 4 | 0 | 5 | 3.5 | COc1cc(OC)cc(-c2cc3ccc(OC)cc3oc2=O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| 4418 | 40996 | 85 | None | 1 | 18 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL142635 | 40996 | 85 | None | 1 | 18 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.03.070 | ||
| 4151 | 10379 | 89 | None | -5 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| 493 | 10379 | 89 | None | -5 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| 5312125 | 10379 | 89 | None | -5 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL24778 | 10379 | 89 | None | -5 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| DB06207 | 10379 | 89 | None | -5 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/acs.jmedchem.6b01217 | ||
| 123183788 | 147304 | 0 | None | -7 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 441 | 12 | 3 | 6 | 2.4 | COc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810220 | 147304 | 0 | None | -7 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 441 | 12 | 3 | 6 | 2.4 | COc1cc(C)ccc1OCCNC(C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 | 10.1021/acs.jmedchem.5b02023 | ||
| 131978695 | 157640 | 0 | None | -5 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 4 | 5.4 | COc1ccc2[nH]c3c(c2c1)CC1c2cc(OCc4ccccc4)c(OC)cc2CCN1C3 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3957222 | 157640 | 0 | None | -5 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 440 | 5 | 1 | 4 | 5.4 | COc1ccc2[nH]c3c(c2c1)CC1c2cc(OCc4ccccc4)c(OC)cc2CCN1C3 | 10.1021/acs.jmedchem.6b01217 | ||
| 145946630 | 174352 | 0 | None | -12 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4224794 | 174352 | 0 | None | -12 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4300618 | 174352 | 0 | None | -12 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 456 | 8 | 0 | 4 | 5.5 | COc1ccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)cc1 | 10.1016/j.bmcl.2018.03.070 | ||
| 10820251 | 103397 | 0 | None | 208 | 3 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL1203233 | 103397 | 0 | None | 208 | 3 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL263434 | 103397 | 0 | None | 208 | 3 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1277 | 47 | 6 | 20 | 10.9 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCNCCSSCCNCCCCCCNCc3ccccc3C(=O)N(C)CCCCCCN(C)c3nc(N)c4cc(OC)c(OC)cc4n3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 10582125 | 88609 | 0 | None | 47 | 3 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4cccc(CNCCCCCCNCCSSCCNCCCCCCNCc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| CHEMBL216443 | 88609 | 0 | None | 47 | 3 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 1161 | 33 | 6 | 20 | 7.3 | COc1cc2nc(N3CCN(C(=O)c4cccc(CNCCCCCCNCCSSCCNCCCCCCNCc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC | 10.1021/jm000995w | ||
| 145947950 | 174512 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4224703 | 174512 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| CHEMBL4302771 | 174512 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 440 | 7 | 0 | 3 | 5.8 | Cc1cccc(N2CCN(CCc3ccc(COc4ccc5c(c4)CCCC5)cc3)CC2)c1 | 10.1016/j.bmcl.2018.03.070 | ||
| 134149598 | 155256 | 0 | None | -33 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 336 | 0 | 1 | 3 | 3.7 | Fc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| CHEMBL3938121 | 155256 | 0 | None | -33 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 336 | 0 | 1 | 3 | 3.7 | Fc1ccc2[nH]c3c(c2c1)CC1c2cc4c(cc2CCN1C3)OCO4 | 10.1021/acs.jmedchem.6b01217 | ||
| 123576734 | 147202 | 0 | None | -15 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 455 | 13 | 3 | 6 | 2.7 | CCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809032 | 147202 | 0 | None | -15 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 455 | 13 | 3 | 6 | 2.7 | CCc1ccc(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(OC)c1 | 10.1021/acs.jmedchem.5b02023 | ||
| 123854385 | 147294 | 0 | None | -72 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3810145 | 147294 | 0 | None | -72 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 527 | 13 | 3 | 6 | 4.3 | CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F | 10.1021/acs.jmedchem.5b02023 | ||
| 44406281 | 79480 | 3 | None | - | 1 | Rat | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | O=c1oc2c(O)cc(O)cc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| CHEMBL199739 | 79480 | 3 | None | - | 1 | Rat | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 286 | 1 | 4 | 6 | 2.3 | O=c1oc2c(O)cc(O)cc2cc1-c1cc(O)cc(O)c1 | 10.1016/j.bmcl.2005.10.013 | ||
| 123393714 | 147252 | 0 | None | -3 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C | 10.1021/acs.jmedchem.5b02023 | ||
| CHEMBL3809543 | 147252 | 0 | None | -3 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.1 | Cc1ccc(C)c(OCCNC(C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C | 10.1021/acs.jmedchem.5b02023 | ||
| 16121006 | 18613 | 0 | None | - | 0 | Rat | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182182 | 18613 | 0 | None | - | 0 | Rat | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL217469 | 18613 | 0 | None | - | 0 | Rat | 10.7 | pKd | = | 10.7 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 11638677 | 91364 | 0 | None | - | 2 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
| CHEMBL2153423 | 91364 | 0 | None | - | 2 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
| CHEMBL2220978 | 91364 | 0 | None | - | 2 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2011.04.032 | ||
| 129211 | 10521 | 78 | None | - | 14 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 2562 | 10521 | 78 | None | - | 14 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 488 | 10521 | 78 | None | - | 14 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| CHEMBL836 | 10521 | 78 | None | - | 14 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| DB00706 | 10521 | 78 | None | - | 14 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | ||
| 9824384 | 125565 | 1 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL342062 | 125565 | 1 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 4209 | 9937 | 75 | None | - | 17 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
| 4893 | 9937 | 75 | None | - | 17 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
| 503 | 9937 | 75 | None | - | 17 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
| 5385 | 9937 | 75 | None | - | 17 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
| CHEMBL2 | 9937 | 75 | None | - | 17 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
| DB00457 | 9937 | 75 | None | - | 17 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2011.04.032 | ||
| 11742834 | 172549 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| CHEMBL42472 | 172549 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | ||
| 10814913 | 42692 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 489 | 12 | 1 | 8 | 4.3 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144238 | 42692 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 489 | 12 | 1 | 8 | 4.3 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 50905381 | 63124 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630938 | 63124 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 9891213 | 168281 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128084 | 168281 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 132266 | 8061 | 12 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| 486 | 8061 | 12 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| CHEMBL423294 | 8061 | 12 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | ||
| 13305910 | 18608 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182155 | 18608 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL215421 | 18608 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3741808 | 18608 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 13305910 | 18608 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL1182155 | 18608 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL215421 | 18608 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL3741808 | 18608 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 14423371 | 104230 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL27013 | 104230 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 14423371 | 104230 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL27013 | 104230 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| 10527469 | 163044 | 3 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| CHEMBL40650 | 163044 | 3 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | ||
| 11430126 | 67337 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL175934 | 67337 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 11751173 | 70200 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL179743 | 70200 | 0 | None | - | 0 | Rat | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 11430491 | 69775 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL178673 | 69775 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 24897950 | 63126 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630940 | 63126 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 4209 | 9937 | 75 | None | - | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 4893 | 9937 | 75 | None | - | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 503 | 9937 | 75 | None | - | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 5385 | 9937 | 75 | None | - | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| CHEMBL2 | 9937 | 75 | None | - | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| DB00457 | 9937 | 75 | None | - | 17 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | ||
| 11994665 | 18606 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182151 | 18606 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL215151 | 18606 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 3157 | 8252 | 71 | None | - | 22 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 7170 | 8252 | 71 | None | - | 22 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 954 | 8252 | 71 | None | - | 22 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| CHEMBL707 | 8252 | 71 | None | - | 22 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| DB00590 | 8252 | 71 | None | - | 22 | Rat | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | ||
| 4209 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 4893 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 503 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 5385 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| CHEMBL2 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| DB00457 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | ||
| 4209 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 4893 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 503 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 5385 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL2 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| DB00457 | 9937 | 75 | None | - | 17 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 3584 | 10549 | 64 | None | - | 11 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 5401 | 10549 | 64 | None | - | 11 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 7302 | 10549 | 64 | None | - | 11 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL611 | 10549 | 64 | None | - | 11 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| DB01162 | 10549 | 64 | None | - | 11 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmcl.2005.09.027 | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | ||
| 10763212 | 174975 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 394 | 9 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C2CC2)CC1 | 10.1021/jm970166j | ||
| CHEMBL433348 | 174975 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 394 | 9 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C2CC2)CC1 | 10.1021/jm970166j | ||
| 44289437 | 176642 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| CHEMBL44403 | 176642 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | ||
| 4209 | 9937 | 75 | None | - | 17 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
| 4893 | 9937 | 75 | None | - | 17 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
| 503 | 9937 | 75 | None | - | 17 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
| 5385 | 9937 | 75 | None | - | 17 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
| CHEMBL2 | 9937 | 75 | None | - | 17 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
| DB00457 | 9937 | 75 | None | - | 17 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00370a011 | ||
| 44417713 | 19194 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1185884 | 19194 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL439346 | 19194 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 10501886 | 118178 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1ccccc1N1CCN(CCCNc2ncc(O)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL327232 | 118178 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1ccccc1N1CCN(CCCNc2ncc(O)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10833725 | 213290 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 381 | 7 | 1 | 5 | 2.7 | Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88435 | 213290 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 381 | 7 | 1 | 5 | 2.7 | Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10499343 | 213304 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 369 | 8 | 2 | 6 | 1.8 | COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1 | 10.1021/jm970166j | ||
| CHEMBL88512 | 213304 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 369 | 8 | 2 | 6 | 1.8 | COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1 | 10.1021/jm970166j | ||
| 10500734 | 213358 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 392 | 7 | 1 | 6 | 2.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C#N)CC1 | 10.1021/jm970166j | ||
| CHEMBL88856 | 213358 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 392 | 7 | 1 | 6 | 2.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C#N)CC1 | 10.1021/jm970166j | ||
| 10646065 | 213681 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 425 | 8 | 2 | 6 | 3.2 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL90874 | 213681 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 425 | 8 | 2 | 6 | 3.2 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| 10526964 | 213744 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 437 | 10 | 1 | 6 | 3.2 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1 | 10.1021/jm970166j | ||
| CHEMBL91278 | 213744 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 437 | 10 | 1 | 6 | 3.2 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1 | 10.1021/jm970166j | ||
| 10598692 | 213923 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 429 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)c2ccccc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL92259 | 213923 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 429 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)c2ccccc2)CC1 | 10.1021/jm970166j | ||
| 10671310 | 213704 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 451 | 8 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL91036 | 213704 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 451 | 8 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 10647512 | 213804 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 1.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3ccn[n+]2-3)CC1 | 10.1021/jm970166j | ||
| CHEMBL91547 | 213804 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 1.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3ccn[n+]2-3)CC1 | 10.1021/jm970166j | ||
| 10815708 | 213877 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 515 | 9 | 1 | 6 | 4.5 | CN(C)C(=O)c1cnc2ccccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL91989 | 213877 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 515 | 9 | 1 | 6 | 4.5 | CN(C)C(=O)c1cnc2ccccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 10788615 | 213795 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 427 | 9 | 1 | 7 | 2.4 | COc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1 | 10.1021/jm970166j | ||
| CHEMBL91480 | 213795 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 427 | 9 | 1 | 7 | 2.4 | COc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(OC)c1 | 10.1021/jm970166j | ||
| 11994915 | 18604 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182145 | 18604 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214762 | 18604 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 10549596 | 91380 | 1 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153553 | 91380 | 1 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221147 | 91380 | 1 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 4418 | 40996 | 85 | None | - | 18 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL142635 | 40996 | 85 | None | - | 18 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | ||
| 52942664 | 24416 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258345 | 24416 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 500 | 8 | 2 | 6 | 2.7 | COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 11135150 | 14375 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL1087942 | 14375 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL287686 | 14375 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| 11454386 | 69881 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| CHEMBL178923 | 69881 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | ||
| 10813278 | 113717 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 446 | 8 | 1 | 6 | 3.5 | Cc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(-n2cccc2)c1 | 10.1021/jm970166j | ||
| CHEMBL314880 | 113717 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 446 | 8 | 1 | 6 | 3.5 | Cc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(-n2cccc2)c1 | 10.1021/jm970166j | ||
| 10693071 | 213253 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 413 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCSc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88181 | 213253 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 413 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCSc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 9893282 | 213248 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 533 | 9 | 1 | 8 | 3.5 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
| CHEMBL88160 | 213248 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 533 | 9 | 1 | 8 | 3.5 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
| 10530686 | 213682 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 549 | 9 | 1 | 6 | 5.2 | CN(C)C(=O)c1cnc2c(Cl)cccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL90878 | 213682 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 549 | 9 | 1 | 6 | 5.2 | CN(C)C(=O)c1cnc2c(Cl)cccc2c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 44284394 | 17961 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 373 | 9 | 1 | 6 | 3.0 | COc1cccc(OC)c1OCCNCC1CO[C@](C)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL1178677 | 17961 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 373 | 9 | 1 | 6 | 3.0 | COc1cccc(OC)c1OCCNCC1CO[C@](C)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL36978 | 17961 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 373 | 9 | 1 | 6 | 3.0 | COc1cccc(OC)c1OCCNCC1CO[C@](C)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| 10767948 | 42723 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144263 | 42723 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 145962945 | 168122 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4125846 | 168122 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 11273296 | 177075 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL444648 | 177075 | 0 | None | - | 0 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 586 | 11 | 1 | 8 | 2.9 | CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 49800167 | 24453 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258457 | 24453 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 514 | 9 | 2 | 6 | 3.1 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 10531768 | 42426 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 | 10.1021/jm9810654 | ||
| CHEMBL144000 | 42426 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 | 10.1021/jm9810654 | ||
| 44586429 | 191076 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL484102 | 191076 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 145960918 | 168307 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128460 | 168307 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 52945071 | 24415 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258344 | 24415 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 2.7 | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 145971816 | 171311 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4214992 | 171311 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10693026 | 112730 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 412 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1OCCNC1CCN(c2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL312935 | 112730 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 412 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1OCCNC1CCN(c2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10572854 | 119343 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 396 | 8 | 1 | 5 | 3.0 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL330060 | 119343 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 396 | 8 | 1 | 5 | 3.0 | COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10552132 | 119565 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 465 | 9 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL330579 | 119565 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 465 | 9 | 1 | 6 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 10642742 | 213574 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 367 | 7 | 1 | 5 | 2.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL90287 | 213574 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 367 | 7 | 1 | 5 | 2.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2)CC1 | 10.1021/jm970166j | ||
| 145953314 | 168208 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4127078 | 168208 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | ||
| 10744240 | 113811 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 508 | 9 | 2 | 7 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C(N)=O)cccc23)CC1 | 10.1021/jm970166j | ||
| CHEMBL315496 | 113811 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 508 | 9 | 2 | 7 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C(N)=O)cccc23)CC1 | 10.1021/jm970166j | ||
| 10577066 | 119189 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 490 | 8 | 2 | 6 | 2.3 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3c(Cl)cn[n+]2-3)CC1 | 10.1021/jm970166j | ||
| CHEMBL329773 | 119189 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 490 | 8 | 2 | 6 | 2.3 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)c[nH]c3c(Cl)cn[n+]2-3)CC1 | 10.1021/jm970166j | ||
| 11133288 | 172812 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| CHEMBL42558 | 172812 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | ||
| 145962817 | 168298 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4128311 | 168298 | 0 | None | - | 0 | Rat | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 44289248 | 175755 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL43905 | 175755 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 44417706 | 18607 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182152 | 18607 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| CHEMBL215188 | 18607 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | ||
| 10743978 | 128081 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL358060 | 128081 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CCl)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 145978803 | 170617 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 398 | 8 | 1 | 6 | 2.3 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4206435 | 170617 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 398 | 8 | 1 | 6 | 2.3 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10574245 | 118299 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 422 | 8 | 1 | 7 | 2.3 | COc1ccccc1N1CCN(CCCNc2ncc(C#N)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL327872 | 118299 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 422 | 8 | 1 | 7 | 2.3 | COc1ccccc1N1CCN(CCCNc2ncc(C#N)cc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 9865577 | 119086 | 2 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL329160 | 119086 | 2 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 44323795 | 213387 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2cc(C)ccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL89030 | 213387 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2cc(C)ccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10550225 | 213861 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 423 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1 | 10.1021/jm970166j | ||
| CHEMBL91876 | 213861 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 423 | 8 | 1 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1 | 10.1021/jm970166j | ||
| 44586430 | 193809 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL490865 | 193809 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 528 | 9 | 1 | 6 | 3.4 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 10506159 | 118177 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 520 | 8 | 1 | 9 | 3.4 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccc(F)cc4-c4ncco4)CC3)c12 | 10.1021/jm970166j | ||
| CHEMBL327231 | 118177 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 520 | 8 | 1 | 9 | 3.4 | Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccc(F)cc4-c4ncco4)CC3)c12 | 10.1021/jm970166j | ||
| 10719536 | 127921 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 480 | 12 | 2 | 8 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL357669 | 127921 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 480 | 12 | 2 | 8 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10430193 | 168377 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4129461 | 168377 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 3584 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 5401 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 7302 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL611 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| DB01162 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10363912 | 13310 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL1082862 | 13310 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| CHEMBL286003 | 13310 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | ||
| 3584 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 5401 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 7302 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| CHEMBL611 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| DB01162 | 10549 | 64 | None | - | 11 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm060358r | ||
| 499 | 10849 | 18 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| 5685 | 10849 | 18 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| CHEMBL25554 | 10849 | 18 | None | - | 1 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | ||
| 10767688 | 43159 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CCl)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144677 | 43159 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CCl)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10344976 | 107992 | 2 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL29591 | 107992 | 2 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10344976 | 107992 | 2 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL29591 | 107992 | 2 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| 50905589 | 63128 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630942 | 63128 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 44428847 | 99068 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242723 | 99068 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 6603808 | 134300 | 3 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214986 | 134300 | 3 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL36622 | 134300 | 3 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL3740374 | 134300 | 3 | None | - | 2 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 69781970 | 168130 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4125981 | 168130 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 52941981 | 24288 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1257883 | 24288 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 3.1 | CN1C(=O)N(CC(O)CN2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 10526831 | 118166 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 434 | 8 | 1 | 7 | 3.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ncco2)CC1 | 10.1021/jm970166j | ||
| CHEMBL327168 | 118166 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 434 | 8 | 1 | 7 | 3.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ncco2)CC1 | 10.1021/jm970166j | ||
| 10789868 | 213509 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 453 | 10 | 1 | 6 | 4.0 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C(C)C)C(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL89916 | 213509 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 453 | 10 | 1 | 6 | 4.0 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C(C)C)C(C)C)CC1 | 10.1021/jm970166j | ||
| 44323554 | 213238 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 446 | 8 | 1 | 7 | 2.9 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2-c2cncnc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL88109 | 213238 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 446 | 8 | 1 | 7 | 2.9 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2-c2cncnc2)CC1 | 10.1021/jm970166j | ||
| 11994673 | 19088 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL1185036 | 19088 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL385371 | 19088 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| 132266 | 8061 | 12 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 486 | 8061 | 12 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL423294 | 8061 | 12 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/s0960-894x(98)00217-0 | ||
| 44586483 | 179246 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL448198 | 179246 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.07.101 | ||
| 44586479 | 195406 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL503007 | 195406 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 572 | 10 | 1 | 8 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 2419 | 7482 | 28 | None | - | 3 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.04.032 | ||
| 9 | 7482 | 28 | None | - | 3 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.04.032 | ||
| CHEMBL13647 | 7482 | 28 | None | - | 3 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.04.032 | ||
| 71462043 | 91343 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153555 | 91343 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220895 | 91343 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10506915 | 47013 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL148061 | 47013 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN4CCSC4)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10745791 | 43283 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 579 | 19 | 3 | 9 | 4.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCN)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144776 | 43283 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 579 | 19 | 3 | 9 | 4.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CNCCCCCCN)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10786203 | 214048 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 2.1 | CNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm970166j | ||
| CHEMBL93054 | 214048 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 2.1 | CNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm970166j | ||
| 10651334 | 36524 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 | 10.1021/jm9810654 | ||
| CHEMBL138681 | 36524 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 607 | 20 | 2 | 9 | 5.2 | CNCCCCCCN(C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 | 10.1021/jm9810654 | ||
| 10697270 | 112955 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 519 | 9 | 2 | 8 | 3.2 | CNC(=O)c1cnc2c(c(C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL313775 | 112955 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 519 | 9 | 2 | 8 | 3.2 | CNC(=O)c1cnc2c(c(C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 2419 | 7482 | 28 | None | - | 3 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| 9 | 7482 | 28 | None | - | 3 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| CHEMBL13647 | 7482 | 28 | None | - | 3 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | ||
| 10549680 | 119161 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 413 | 8 | 1 | 6 | 3.1 | CSc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL329601 | 119161 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 413 | 8 | 1 | 6 | 3.1 | CSc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10620831 | 213666 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccc(C(=O)N(C)C)cn2)CC1 | 10.1021/jm970166j | ||
| CHEMBL90778 | 213666 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccc(C(=O)N(C)C)cn2)CC1 | 10.1021/jm970166j | ||
| 10596968 | 213757 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 397 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCCOc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91338 | 213757 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 397 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCCOc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10764021 | 213770 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 409 | 9 | 1 | 5 | 3.4 | CCCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91400 | 213770 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 409 | 9 | 1 | 5 | 3.4 | CCCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10574889 | 113323 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 435 | 7 | 1 | 5 | 3.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL314114 | 113323 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 435 | 7 | 1 | 5 | 3.4 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 10552704 | 170228 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 479 | 8 | 1 | 6 | 4.0 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1 | 10.1021/jm970166j | ||
| CHEMBL419867 | 170228 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 479 | 8 | 1 | 6 | 4.0 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1 | 10.1021/jm970166j | ||
| 10624682 | 213817 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2c(C)nn3C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91605 | 213817 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2c(C)nn3C)CC1 | 10.1021/jm970166j | ||
| 44289262 | 108151 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
| CHEMBL297106 | 108151 | 2 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 421 | 9 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1 | 10.1021/jm011066n | ||
| 25022505 | 195070 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL500266 | 195070 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 586 | 10 | 1 | 8 | 2.9 | COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 44428848 | 99069 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242724 | 99069 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 10447834 | 8714 | 4 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 4026 | 8714 | 4 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| CHEMBL275507 | 8714 | 4 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 145975903 | 170600 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4206260 | 170600 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OC[C@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 11795906 | 213845 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 411 | 8 | 1 | 6 | 2.7 | COc1cc(C)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91785 | 213845 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 411 | 8 | 1 | 6 | 2.7 | COc1cc(C)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 44324012 | 214028 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1 | 10.1021/jm970166j | ||
| CHEMBL92901 | 214028 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2nc(C)cc(C)c2C(N)=O)CC1 | 10.1021/jm970166j | ||
| 10505222 | 213444 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 490 | 8 | 1 | 7 | 3.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C#N)cccc23)CC1 | 10.1021/jm970166j | ||
| CHEMBL89397 | 213444 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 490 | 8 | 1 | 7 | 3.6 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C#N)cccc23)CC1 | 10.1021/jm970166j | ||
| 11994797 | 19086 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL1185017 | 19086 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| CHEMBL383938 | 19086 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | ||
| 9976756 | 13379 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
| CHEMBL1083181 | 13379 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
| CHEMBL37883 | 13379 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | ||
| 2419 | 7482 | 28 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| 9 | 7482 | 28 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| CHEMBL13647 | 7482 | 28 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | ||
| 2419 | 7482 | 28 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
| 9 | 7482 | 28 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL13647 | 7482 | 28 | None | - | 3 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(98)00217-0 | ||
| 45268939 | 203439 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| CHEMBL564481 | 203439 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | ||
| 11281005 | 18615 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL1182191 | 18615 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| CHEMBL218079 | 18615 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | ||
| 52942591 | 24384 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1258228 | 24384 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 542 | 9 | 1 | 7 | 2.6 | COC(=O)CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 145964162 | 171115 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4212528 | 171115 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 412 | 8 | 1 | 6 | 2.6 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 44277158 | 108422 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 449 | 11 | 3 | 10 | 3.0 | COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| CHEMBL29907 | 108422 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 449 | 11 | 3 | 10 | 3.0 | COc1cc2nc(NCCSSCCNC(=O)c3ccco3)nc(N)c2cc1OC | 10.1016/s0960-894x(98)00217-0 | ||
| 10553687 | 45655 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CN(C)C)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL146724 | 45655 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CN(C)C)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10097792 | 125367 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL341665 | 125367 | 0 | None | - | 0 | Rat | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10621592 | 91346 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153559 | 91346 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220898 | 91346 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 10553385 | 125943 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 498 | 13 | 1 | 9 | 3.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL342997 | 125943 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 498 | 13 | 1 | 9 | 3.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 44323803 | 213326 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 398 | 8 | 1 | 7 | 1.8 | COc1ccccc1N1CCN(CCCNc2cncnc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88633 | 213326 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 398 | 8 | 1 | 7 | 1.8 | COc1ccccc1N1CCN(CCCNc2cncnc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10647341 | 213713 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 453 | 9 | 1 | 6 | 3.8 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91093 | 213713 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 453 | 9 | 1 | 6 | 3.8 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC(C)(C)C)CC1 | 10.1021/jm970166j | ||
| 10524875 | 214151 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL93736 | 214151 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 397 | 8 | 1 | 6 | 2.4 | COc1ccccc1N1CCN(CCCNc2ccncc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10815228 | 44042 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CCl)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL145384 | 44042 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 12 | 1 | 7 | 4.7 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CCl)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 71454865 | 91378 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153551 | 91378 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2221145 | 91378 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 132266 | 8061 | 12 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
| 486 | 8061 | 12 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL423294 | 8061 | 12 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | ||
| 132266 | 8061 | 12 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
| 486 | 8061 | 12 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL423294 | 8061 | 12 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | ||
| 44244567 | 20809 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 3.8 | CCOc1ccccc1N1CCN(CC(O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1016/j.ejmech.2009.04.028 | ||
| CHEMBL1197380 | 20809 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 3.8 | CCOc1ccccc1N1CCN(CC(O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1016/j.ejmech.2009.04.028 | ||
| CHEMBL3216680 | 20809 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 3.8 | CCOc1ccccc1N1CCN(CC(O)CN2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1016/j.ejmech.2009.04.028 | ||
| 10403687 | 9289 | 3 | None | - | 2 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 1205 | 9289 | 3 | None | - | 2 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| CHEMBL275035 | 9289 | 3 | None | - | 2 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 44428845 | 149140 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL388884 | 149140 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 145962342 | 168202 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4126860 | 168202 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | ||
| 69782867 | 168362 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| CHEMBL4129291 | 168362 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | ||
| 10673882 | 45499 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 534 | 13 | 1 | 11 | 3.5 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL146601 | 45499 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 534 | 13 | 1 | 11 | 3.5 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CN(C)C)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10525639 | 213924 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 410 | 8 | 1 | 6 | 3.9 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL92261 | 213924 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 410 | 8 | 1 | 6 | 3.9 | COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 | 10.1021/jm970166j | ||
| 10602797 | 43274 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144768 | 43274 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 552 | 13 | 1 | 9 | 4.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN4CCSC4)cc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10072518 | 42679 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 451 | 11 | 1 | 7 | 4.0 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL144224 | 42679 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 451 | 11 | 1 | 7 | 4.0 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 50905588 | 63127 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| CHEMBL1630941 | 63127 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | ||
| 11994667 | 18603 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL1182143 | 18603 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| CHEMBL214694 | 18603 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | ||
| 11133868 | 162121 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| CHEMBL40325 | 162121 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | ||
| 10621790 | 170595 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 415 | 8 | 1 | 6 | 2.6 | COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL420620 | 170595 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 415 | 8 | 1 | 6 | 2.6 | COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10645210 | 213258 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 409 | 8 | 1 | 5 | 3.5 | CC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88211 | 213258 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 409 | 8 | 1 | 5 | 3.5 | CC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10643699 | 213330 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 383 | 7 | 2 | 6 | 2.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2O)CC1 | 10.1021/jm970166j | ||
| CHEMBL88664 | 213330 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 383 | 7 | 2 | 6 | 2.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2O)CC1 | 10.1021/jm970166j | ||
| 10716502 | 213354 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL88820 | 213354 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 410 | 7 | 1 | 5 | 2.5 | COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10555166 | 213497 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 575 | 9 | 1 | 8 | 4.5 | CN(C)C(=O)c1cnc2c(c(C(C)(C)C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL89822 | 213497 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 575 | 9 | 1 | 8 | 4.5 | CN(C)C(=O)c1cnc2c(c(C(C)(C)C)nn2C)c1NCCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 10575254 | 213662 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 443 | 8 | 1 | 5 | 4.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ccccc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL90746 | 213662 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 443 | 8 | 1 | 5 | 4.1 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ccccc2)CC1 | 10.1021/jm970166j | ||
| 10552164 | 213679 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 466 | 9 | 1 | 6 | 3.4 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| CHEMBL90869 | 213679 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 466 | 9 | 1 | 6 | 3.4 | CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1 | 10.1021/jm970166j | ||
| 21473427 | 213756 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C)cccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL91326 | 213756 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C)cccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10621397 | 213871 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 407 | 8 | 1 | 5 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm970166j | ||
| CHEMBL91951 | 213871 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 407 | 8 | 1 | 5 | 3.3 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm970166j | ||
| 9838192 | 118089 | 18 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
| CHEMBL326702 | 118089 | 18 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | ||
| 10814587 | 213671 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 480 | 8 | 1 | 7 | 3.4 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3nc(C)ccc23)CC1 | 10.1021/jm970166j | ||
| CHEMBL90810 | 213671 | 0 | None | - | 0 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 480 | 8 | 1 | 7 | 3.4 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3nc(C)ccc23)CC1 | 10.1021/jm970166j | ||
| 9838192 | 118089 | 18 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
| CHEMBL326702 | 118089 | 18 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1016/j.bmc.2008.02.091 | ||
| 10787790 | 112767 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 411 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL313157 | 112767 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 411 | 9 | 1 | 6 | 2.8 | CCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 11169638 | 23966 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| CHEMBL1256344 | 23966 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 600 | 11 | 1 | 8 | 3.3 | CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O | 10.1016/j.bmcl.2010.07.101 | ||
| 145971621 | 171384 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 414 | 9 | 1 | 7 | 2.0 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| CHEMBL4215889 | 171384 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 414 | 9 | 1 | 7 | 2.0 | COC(=O)Cc1ccc(OCC(O)CN2CCN(c3ccccc3OC)CC2)cc1 | 10.1016/j.bmcl.2018.01.068 | ||
| 10042467 | 8208 | 1 | None | - | 2 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
| 1203 | 8208 | 1 | None | - | 2 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
| CHEMBL11553 | 8208 | 1 | None | - | 2 | Rat | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
| 10743446 | 113848 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2nc(C)n3C)CC1 | 10.1021/jm970166j | ||
| CHEMBL315785 | 113848 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 483 | 8 | 1 | 8 | 2.8 | COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c2nc(C)n3C)CC1 | 10.1021/jm970166j | ||
| 10787895 | 118197 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1cc(O)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| CHEMBL327351 | 118197 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 413 | 8 | 2 | 7 | 2.1 | COc1cc(O)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1 | 10.1021/jm970166j | ||
| 10766280 | 118416 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 457 | 9 | 1 | 5 | 4.0 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2Cc2ccccc2)CC1 | 10.1021/jm970166j | ||
| CHEMBL328545 | 118416 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 457 | 9 | 1 | 5 | 4.0 | CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2Cc2ccccc2)CC1 | 10.1021/jm970166j | ||
| 10839699 | 213530 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 520 | 9 | 1 | 8 | 3.8 | Cc1noc2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
| CHEMBL90022 | 213530 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 520 | 9 | 1 | 8 | 3.8 | Cc1noc2ncc(C(=O)N(C)C)c(NCCCN3CCN(c4ccccc4OCC(F)(F)F)CC3)c12 | 10.1021/jm970166j | ||
| 44428846 | 98964 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242508 | 98964 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | ||
| 10530133 | 43790 | 1 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 525 | 12 | 1 | 10 | 4.2 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| CHEMBL145181 | 43790 | 1 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 525 | 12 | 1 | 10 | 4.2 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccc(CCl)o3)nc(N)c2cc1OC | 10.1021/jm9810654 | ||
| 10834793 | 91354 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2153557 | 91354 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| CHEMBL2220925 | 91354 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | ||
| 16721032 | 98963 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| CHEMBL242507 | 98963 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | ||
| 44289261 | 171691 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| CHEMBL42231 | 171691 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | ||
| 53327991 | 70175 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796046 | 70175 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 53327748 | 70162 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796033 | 70162 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 44288917 | 107031 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL288768 | 107031 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44288769 | 107925 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL295395 | 107925 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 542 | 7 | 1 | 4 | 4.5 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 9827677 | 175201 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43491 | 175201 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 510 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44288945 | 175694 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL43860 | 175694 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 44289100 | 106925 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 499 | 7 | 1 | 3 | 4.7 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL287791 | 106925 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 499 | 7 | 1 | 3 | 4.7 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 44289107 | 172959 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 492 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL42640 | 172959 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 492 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 53327992 | 70179 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| CHEMBL1796050 | 70179 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | ||
| 44288874 | 107872 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL295001 | 107872 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.2 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1 | 10.1016/s0960-894x(99)00696-4 | ||
| 10436842 | 107032 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL288772 | 107032 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.6 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 44289103 | 162403 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL40464 | 162403 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 506 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 44289035 | 107290 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| CHEMBL291166 | 107290 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 524 | 7 | 1 | 4 | 4.4 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C | 10.1016/s0960-894x(99)00696-4 | ||
| 135398745 | 9688 | 112 | None | -38 | 33 | Rat | 6.4 | pA2 | = | 6.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
| 47 | 9688 | 112 | None | -38 | 33 | Rat | 6.4 | pA2 | = | 6.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
| CHEMBL715 | 9688 | 112 | None | -38 | 33 | Rat | 6.4 | pA2 | = | 6.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
| DB00334 | 9688 | 112 | None | -38 | 33 | Rat | 6.4 | pA2 | = | 6.4 | Functional | Guide to Pharmacology | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 18542932 | ||
| 1753 | 9282 | 28 | None | -2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| 483 | 9282 | 28 | None | -2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| 6082 | 9282 | 28 | None | -2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| CHEMBL524 | 9282 | 28 | None | -2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| DB00723 | 9282 | 28 | None | -2 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | ||
| 13155 | 10195 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 24992070 | ||
| 90645598 | 10195 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 24992070 | ||
| CHEMBL3297829 | 10195 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 24992070 | ||
| 1753 | 9282 | 28 | None | -2 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 483 | 9282 | 28 | None | -2 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 6082 | 9282 | 28 | None | -2 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| CHEMBL524 | 9282 | 28 | None | -2 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| DB00723 | 9282 | 28 | None | -2 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | ||
| 2765 | 7730 | 19 | None | -28 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| 515 | 7730 | 19 | None | -28 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| CHEMBL13852 | 7730 | 19 | None | -28 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| DB09202 | 7730 | 19 | None | -28 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | ||
| 124 | 9755 | 47 | None | -501 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 2032 | 9755 | 47 | None | -501 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 4636 | 9755 | 47 | None | -501 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| CHEMBL762 | 9755 | 47 | None | -501 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| DB00935 | 9755 | 47 | None | -501 | 25 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | ||
| 2146 | 9874 | 67 | None | -3 | 15 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 485 | 9874 | 67 | None | -3 | 15 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 6041 | 9874 | 67 | None | -3 | 15 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| CHEMBL1215 | 9874 | 67 | None | -3 | 15 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| DB00388 | 9874 | 67 | None | -3 | 15 | Human | 6.7 | pEC50 | = | 6.7 | Functional | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | ||
| 1960 | 9632 | 67 | None | -5 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 439260 | 9632 | 67 | None | -5 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 505 | 9632 | 67 | None | -5 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| CHEMBL1437 | 9632 | 67 | None | -5 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| DB00368 | 9632 | 67 | None | -5 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 1028 | 7079 | 71 | None | -9 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 139148732 | 7079 | 71 | None | -9 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 479 | 7079 | 71 | None | -9 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 5816 | 7079 | 71 | None | -9 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| CHEMBL679 | 7079 | 71 | None | -9 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| DB00668 | 7079 | 71 | None | -9 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | ||
| 2146 | 9874 | 67 | None | -3 | 15 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 485 | 9874 | 67 | None | -3 | 15 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| 6041 | 9874 | 67 | None | -3 | 15 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| CHEMBL1215 | 9874 | 67 | None | -3 | 15 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| DB00388 | 9874 | 67 | None | -3 | 15 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | None | ||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 24900689 | 77138 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945039 | 77138 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 43260 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL1076 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | |||
| 43260 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | |||
| CHEMBL1076 | 12254 | 65 | None | -1 | 5 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | |||
| 4038180 | 6992 | 14 | None | -141 | 8 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 480 | 6992 | 14 | None | -141 | 8 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL109783 | 6992 | 14 | None | -141 | 8 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 4038180 | 6992 | 14 | None | -141 | 8 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| 480 | 6992 | 14 | None | -141 | 8 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| CHEMBL109783 | 6992 | 14 | None | -141 | 8 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| 10297 | 33885 | 30 | None | -31 | 43 | Rat | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | |||
| CHEMBL136560 | 33885 | 30 | None | -31 | 43 | Rat | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | |||
| 162265 | 209053 | 22 | None | -5 | 44 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | |||
| 4786 | 209053 | 22 | None | -5 | 44 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL61006 | 209053 | 22 | None | -5 | 44 | Rat | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 2585 | 7590 | 103 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 7590 | 103 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 7590 | 103 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 7590 | 103 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 7590 | 103 | None | -4 | 22 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 6761 | 74574 | 19 | None | -1 | 18 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| CHEMBL1909072 | 74574 | 19 | None | -1 | 18 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 85469754 | 143673 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 3.3 | CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3742276 | 143673 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 503 | 7 | 0 | 6 | 3.3 | CS(=O)(=O)c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 24901413 | 77131 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945032 | 77131 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900811 | 77139 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945040 | 77139 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 57391554 | 77143 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945044 | 77143 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900937 | 77159 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945294 | 77159 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 413 | 8 | 4 | 6 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 102 | 10899 | 48 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 3659 | 10899 | 48 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 8969 | 10899 | 48 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| CHEMBL15245 | 10899 | 48 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| DB01392 | 10899 | 48 | None | -363 | 49 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 180 | 7189 | 56 | None | -23 | 40 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 7189 | 56 | None | -23 | 40 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 7189 | 56 | None | -23 | 40 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 7189 | 56 | None | -23 | 40 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 7189 | 56 | None | -23 | 40 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 85469871 | 143362 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739505 | 143362 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 3151 | 8244 | 97 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 945 | 8244 | 97 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 965 | 8244 | 97 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| CHEMBL219916 | 8244 | 97 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| DB01184 | 8244 | 97 | None | -77 | 26 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 277 | 8083 | 62 | None | -42 | 50 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 8083 | 62 | None | -42 | 50 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 8083 | 62 | None | -42 | 50 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 8083 | 62 | None | -42 | 50 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 8083 | 62 | None | -42 | 50 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2477 | 7532 | 59 | None | -8 | 29 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| 36 | 7532 | 59 | None | -8 | 29 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| 437 | 7532 | 59 | None | -8 | 29 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| CHEMBL49 | 7532 | 59 | None | -8 | 29 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| DB00490 | 7532 | 59 | None | -8 | 29 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| 448537 | 167029 | 89 | None | -33 | 25 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| CHEMBL411 | 167029 | 89 | None | -33 | 25 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 12488 | 8438 | 56 | None | -10 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 941361 | 8438 | 56 | None | -10 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| CHEMBL30008 | 8438 | 56 | None | -10 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| DB04841 | 8438 | 56 | None | -10 | 23 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 85469869 | 143369 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 426 | 6 | 0 | 5 | 3.2 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739533 | 143369 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 426 | 6 | 0 | 5 | 3.2 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 10015132 | 170648 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL420683 | 170648 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1ccc(-c2ccccc2OCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00764-8 | |||
| 196129 | 74573 | 17 | None | -691 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| CHEMBL1909065 | 74573 | 17 | None | -691 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| 36811 | 8236 | 37 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 535 | 8236 | 37 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 937 | 8236 | 37 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| CHEMBL926 | 8236 | 37 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| DB00841 | 8236 | 37 | None | 1 | 7 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 85469808 | 143408 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739900 | 143408 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 1547484 | 7727 | 74 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 654 | 7727 | 74 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 9072 | 7727 | 74 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL43064 | 7727 | 74 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB00568 | 7727 | 74 | None | -9 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 22493392 | 53929 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL154298 | 53929 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 4 | 2 | 4 | 2.2 | c1ccc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | |||
| 3158 | 63041 | 27 | None | -398 | 20 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 63041 | 27 | None | -398 | 20 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| 2142 | 9870 | 58 | None | -5 | 37 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 4920903 | 9870 | 58 | None | -5 | 37 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 502 | 9870 | 58 | None | -5 | 37 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 5775 | 9870 | 58 | None | -5 | 37 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| CHEMBL597 | 9870 | 58 | None | -5 | 37 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| DB00692 | 9870 | 58 | None | -5 | 37 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 24901347 | 77108 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944695 | 77108 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 463 | 11 | 5 | 6 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 85469931 | 143670 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3742253 | 143670 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 2803 | 7742 | 58 | None | -12 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 516 | 7742 | 58 | None | -12 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 704 | 7742 | 58 | None | -12 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| CHEMBL134 | 7742 | 58 | None | -12 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| DB00575 | 7742 | 58 | None | -12 | 19 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 6726 | 8063 | 51 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 7151 | 8063 | 51 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 749 | 8063 | 51 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL648 | 8063 | 51 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB01176 | 8063 | 51 | None | -11 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 85469934 | 143513 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740847 | 143513 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 443 | 6 | 0 | 4 | 4.0 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 85469932 | 143564 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741318 | 143564 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 24901144 | 77104 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944691 | 77104 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 2284 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 9956 | 33 | None | -3 | 29 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 174174 | 7311 | 49 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 260 | 7311 | 49 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 320 | 7311 | 49 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| CHEMBL517712 | 7311 | 49 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| DB00572 | 7311 | 49 | None | -2041 | 14 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 133 | 9274 | 52 | None | -41 | 43 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 1723 | 9274 | 52 | None | -41 | 43 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 28693 | 9274 | 52 | None | -41 | 43 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| CHEMBL19215 | 9274 | 52 | None | -41 | 43 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| DB13520 | 9274 | 52 | None | -41 | 43 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 6075 | 156887 | 42 | None | -4 | 16 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| CHEMBL395110 | 156887 | 42 | None | -4 | 16 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| 16220269 | 196439 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | |||
| CHEMBL515170 | 196439 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | |||
| 44362511 | 126126 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1ccnc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL344294 | 126126 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 267 | 4 | 1 | 4 | 2.4 | Cc1ccnc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| 441383 | 27105 | 57 | None | -9 | 17 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL1306 | 27105 | 57 | None | -9 | 17 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 10378649 | 115370 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL320419 | 115370 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 274 | 7 | 3 | 4 | 1.6 | CCCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 2812 | 11551 | 101 | None | -40 | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 11551 | 101 | None | -40 | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 2105 | 9828 | 37 | None | -72 | 32 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 47811 | 9828 | 37 | None | -72 | 32 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 48 | 9828 | 37 | None | -72 | 32 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| CHEMBL531 | 9828 | 37 | None | -72 | 32 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| DB01186 | 9828 | 37 | None | -72 | 32 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 19063108 | 100259 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 546 | 9 | 1 | 10 | 4.6 | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC | 10.1021/jm960697s | |||
| CHEMBL24619 | 100259 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 546 | 9 | 1 | 10 | 4.6 | COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC | 10.1021/jm960697s | |||
| 24900426 | 77136 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945037 | 77136 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 477 | 12 | 5 | 6 | 3.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901143 | 77140 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945041 | 77140 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900750 | 77154 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945289 | 77154 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 127041710 | 143394 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.4 | [C-]#[N+]c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739762 | 143394 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 6 | 0 | 4 | 4.4 | [C-]#[N+]c1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 85469873 | 143370 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739542 | 143370 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 6 | 0 | 4 | 4.9 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 10199052 | 214733 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL97044 | 214733 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 258 | 5 | 3 | 4 | 1.0 | O=C(NC1CC1)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 2435 | 7509 | 100 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| 395 | 7509 | 100 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| 520 | 7509 | 100 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| 5386 | 7509 | 100 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| CHEMBL844 | 7509 | 100 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| DB00484 | 7509 | 100 | None | -28 | 12 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| 85469698 | 143604 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741658 | 143604 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 3191 | 109635 | 97 | None | -14 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 109635 | 97 | None | -14 | 25 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 73453 | 36389 | 24 | None | -12 | 17 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| CHEMBL1385840 | 36389 | 24 | None | -12 | 17 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| 2398 | 7741 | 62 | None | -1 | 29 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 7741 | 62 | None | -1 | 29 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 7741 | 62 | None | -1 | 29 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 7741 | 62 | None | -1 | 29 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 7741 | 62 | None | -1 | 29 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2286 | 9957 | 51 | None | -8 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 9957 | 51 | None | -8 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 9957 | 51 | None | -8 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 9957 | 51 | None | -8 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 9957 | 51 | None | -8 | 30 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 85469756 | 143365 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3739513 | 143365 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.9 | COc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 240 | 7731 | 43 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 2769 | 7731 | 43 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 44279790 | 7731 | 43 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 660 | 7731 | 43 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL1729 | 7731 | 43 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL560739 | 7731 | 43 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| DB00604 | 7731 | 43 | None | -5 | 25 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 11108001 | 17644 | 2 | None | 3 | 6 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL117248 | 17644 | 2 | None | 3 | 6 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL540542 | 17644 | 2 | None | 3 | 6 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| 11057 | 182928 | 23 | None | -2 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 3468 | 182928 | 23 | None | -2 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL459265 | 182928 | 23 | None | -2 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL64894 | 182928 | 23 | None | -2 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 24900685 | 77132 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945033 | 77132 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901416 | 77134 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945035 | 77134 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900689 | 77138 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945039 | 77138 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44329797 | 114883 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL319553 | 114883 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 261 | 5 | 2 | 5 | 1.7 | CC(C)OC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 122179430 | 128219 | 0 | None | -3 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| CHEMBL3582270 | 128219 | 0 | None | -3 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| 42636941 | 185728 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | |||
| CHEMBL470432 | 185728 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 5 | 0 | 5 | 4.4 | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 | 10.1016/j.bmc.2008.11.045 | |||
| 237 | 211644 | 48 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL546257 | 211644 | 48 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL554190 | 211644 | 48 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 211644 | 48 | None | -1 | 13 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 2142 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 4920903 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 502 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 5775 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| CHEMBL597 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| DB00692 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 8459 | 10071 | 4 | None | - | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | |||
| 9891980 | 10071 | 4 | None | - | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | |||
| CHEMBL430717 | 10071 | 4 | None | - | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 8 | 1 | 9 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C | 10.1021/jm960697s | |||
| 25014630 | 90314 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | |||
| CHEMBL2203713 | 90314 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | |||
| 85469812 | 143464 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740351 | 143464 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 16738927 | 77133 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945034 | 77133 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 11 | 5 | 7 | 2.9 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccn4)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 57400229 | 77163 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945298 | 77163 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 497 | 12 | 5 | 7 | 3.5 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900942 | 77164 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945299 | 77164 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900872 | 77137 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945038 | 77137 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 12 | 5 | 7 | 3.3 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900749 | 77156 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945291 | 77156 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 493 | 11 | 4 | 7 | 3.8 | COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 44362185 | 127807 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL356605 | 127807 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 253 | 4 | 1 | 4 | 2.1 | c1cncc(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| 57469 | 25638 | 125 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | |||
| CHEMBL1282 | 25638 | 125 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | |||
| 213 | 10625 | 55 | None | -4 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 2717 | 10625 | 55 | None | -4 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 5533 | 10625 | 55 | None | -4 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| CHEMBL621 | 10625 | 55 | None | -4 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| DB00656 | 10625 | 55 | None | -4 | 43 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 5624 | 39467 | 14 | None | -39 | 10 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
| CHEMBL1203324 | 39467 | 14 | None | -39 | 10 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
| CHEMBL141343 | 39467 | 14 | None | -39 | 10 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
| 1971 | 9641 | 38 | None | -6 | 30 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 9641 | 38 | None | -6 | 30 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 9641 | 38 | None | -6 | 30 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 9641 | 38 | None | -6 | 30 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 9641 | 38 | None | -6 | 30 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 124 | 9755 | 47 | None | -524 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2032 | 9755 | 47 | None | -524 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 4636 | 9755 | 47 | None | -524 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| CHEMBL762 | 9755 | 47 | None | -524 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| DB00935 | 9755 | 47 | None | -524 | 32 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 10660 | 21188 | 58 | None | -38 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | |||
| CHEMBL1200406 | 21188 | 58 | None | -38 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | |||
| 10531 | 8202 | 21 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 121 | 8202 | 21 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 888 | 8202 | 21 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL1732 | 8202 | 21 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00320 | 8202 | 21 | None | -28 | 24 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 9794803 | 17778 | 2 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL117381 | 17778 | 2 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2cnco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| 3157 | 8252 | 71 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 7170 | 8252 | 71 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 954 | 8252 | 71 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| DB00590 | 8252 | 71 | None | -1 | 12 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 2726 | 7706 | 68 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 7706 | 68 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 7706 | 68 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 7706 | 68 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 7706 | 68 | None | 1 | 72 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 31101 | 7516 | 40 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 35 | 7516 | 40 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 403 | 7516 | 40 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| CHEMBL493 | 7516 | 40 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| DB01200 | 7516 | 40 | None | -7 | 35 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 4189 | 213701 | 96 | None | -18 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1559 | 213701 | 96 | None | -18 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL91 | 213701 | 96 | None | -18 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 191 | 7191 | 98 | None | -23 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 201 | 7191 | 98 | None | -23 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 2170 | 7191 | 98 | None | -23 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| CHEMBL1113 | 7191 | 98 | None | -23 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| DB00543 | 7191 | 98 | None | -23 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 85469930 | 143652 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 4.8 | Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3742103 | 143652 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 0 | 4 | 4.8 | Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 57398562 | 77135 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945036 | 77135 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 11 | 5 | 6 | 4.1 | CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900751 | 77155 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945290 | 77155 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.8 | CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900812 | 77142 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945043 | 77142 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 450 | 10 | 5 | 7 | 2.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccn4)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 26987 | 7736 | 33 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 7736 | 33 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 7736 | 33 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 7736 | 33 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 7736 | 33 | None | -39 | 21 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 44269124 | 35591 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL13789 | 35591 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(01)00764-8 | |||
| 2771 | 201796 | 74 | None | -9 | 27 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| CHEMBL1200781 | 201796 | 74 | None | -9 | 27 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| CHEMBL549 | 201796 | 74 | None | -9 | 27 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| 1212 | 8443 | 50 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 8443 | 50 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 8443 | 50 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 8443 | 50 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 8443 | 50 | None | -18 | 65 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 1210 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 1213 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 2725 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 33036 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 4411 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 616 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 6976 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 716121 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1201353 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1554789 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL505 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB01114 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB13679 | 7705 | 51 | None | -602 | 21 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 2274 | 9947 | 58 | None | -5 | 31 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 4917 | 9947 | 58 | None | -5 | 31 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 7279 | 9947 | 58 | None | -5 | 31 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| CHEMBL728 | 9947 | 58 | None | -5 | 31 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| DB00433 | 9947 | 58 | None | -5 | 31 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 56961507 | 128220 | 0 | None | -4 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | |||
| CHEMBL3582271 | 128220 | 0 | None | -4 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | |||
| 85469933 | 143426 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740019 | 143426 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 22493269 | 53600 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL154023 | 53600 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 256 | 4 | 2 | 5 | 2.1 | Cc1ncoc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | |||
| 135398737 | 7745 | 93 | None | -2 | 90 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 7745 | 93 | None | -2 | 90 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 7745 | 93 | None | -2 | 90 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 7745 | 93 | None | -2 | 90 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 7745 | 93 | None | -2 | 90 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 85469872 | 143583 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741483 | 143583 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 85469811 | 143662 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3742198 | 143662 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.5 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccccc3Cl)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 1530 | 8963 | 50 | None | -104 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 3827 | 8963 | 50 | None | -104 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 7206 | 8963 | 50 | None | -104 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| CHEMBL534 | 8963 | 50 | None | -104 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| DB00920 | 8963 | 50 | None | -104 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 22493280 | 55049 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL155327 | 55049 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ccno2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| 24901284 | 77161 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945296 | 77161 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 545 | 12 | 5 | 6 | 5.2 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901285 | 77162 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945297 | 77162 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 545 | 11 | 5 | 6 | 5.2 | CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 | 10.1016/j.bmcl.2011.10.049 | |||
| 22493258 | 105440 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | |||
| CHEMBL277375 | 105440 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 241 | 4 | 3 | 4 | 1.5 | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(03)00050-7 | |||
| 4011 | 89183 | 49 | None | -19 | 24 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 89183 | 49 | None | -19 | 24 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 24901209 | 77130 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945031 | 77130 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 516 | 11 | 6 | 6 | 4.3 | Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 | 10.1016/j.bmcl.2011.10.049 | |||
| 57401435 | 77175 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945503 | 77175 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 458 | 11 | 5 | 6 | 2.8 | O=c1ccc2c([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2011.10.049 | |||
| 22493352 | 55048 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL155326 | 55048 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 242 | 4 | 2 | 5 | 1.8 | c1ccc(-c2ncco2)c(NCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00822-8 | |||
| 1588 | 9105 | 27 | None | -20 | 44 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 28864 | 9105 | 27 | None | -20 | 44 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 43 | 9105 | 27 | None | -20 | 44 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| CHEMBL157138 | 9105 | 27 | None | -20 | 44 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| DB00589 | 9105 | 27 | None | -20 | 44 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 10060965 | 42008 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL143562 | 42008 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 256 | 4 | 1 | 4 | 2.6 | Cc1ccoc1-c1ccccc1OCC1=NCCN1 | 10.1016/s0960-894x(01)00764-8 | |||
| 22493289 | 56462 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL156661 | 56462 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 1.6 | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 | 10.1016/s0960-894x(01)00822-8 | |||
| 10399043 | 126940 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | |||
| CHEMBL351542 | 126940 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 232 | 5 | 2 | 5 | 1.1 | CO/N=C/c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00822-8 | |||
| 1028 | 7079 | 71 | None | -17 | 30 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 139148732 | 7079 | 71 | None | -17 | 30 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 479 | 7079 | 71 | None | -17 | 30 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 5816 | 7079 | 71 | None | -17 | 30 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| CHEMBL679 | 7079 | 71 | None | -17 | 30 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| DB00668 | 7079 | 71 | None | -17 | 30 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 122179431 | 128221 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| CHEMBL3582272 | 128221 | 0 | None | 1 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| 3952 | 8669 | 38 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5353646 | 8669 | 38 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5443 | 8669 | 38 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5702063 | 8669 | 38 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL1331786 | 8669 | 38 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL420 | 8669 | 38 | None | -6 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 3652 | 53018 | 70 | None | 1 | 9 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | |||
| CHEMBL1535 | 53018 | 70 | None | 1 | 9 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | |||
| 134551 | 7146 | 27 | None | -10 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 271 | 7146 | 27 | None | -10 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 885 | 7146 | 27 | None | -10 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| CHEMBL1403281 | 7146 | 27 | None | -10 | 21 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 1043 | 8363 | 14 | None | -263 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 149 | 8363 | 14 | None | -263 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 8223 | 8363 | 14 | None | -263 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL442 | 8363 | 14 | None | -263 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00696 | 8363 | 14 | None | -263 | 29 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 85469755 | 143547 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741161 | 143547 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(F)cc3F)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 1016 | 10519 | 78 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2561 | 10519 | 78 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2733526 | 10519 | 78 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 5384 | 10519 | 78 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| CHEMBL83 | 10519 | 78 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| DB00675 | 10519 | 78 | None | -22 | 35 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 100 | 10577 | 58 | None | -1 | 54 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 10577 | 58 | None | -1 | 54 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 10577 | 58 | None | -1 | 54 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 10577 | 58 | None | -1 | 54 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 10577 | 58 | None | -1 | 54 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 24901210 | 77103 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944690 | 77103 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 497 | 11 | 5 | 6 | 4.1 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901349 | 77105 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944692 | 77105 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 11 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901283 | 77157 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945292 | 77157 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 57395043 | 77166 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 420 | 12 | 5 | 5 | 3.1 | OCc1cc([C@@H](O)CNCCc2ccc(CNCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945300 | 77166 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 420 | 12 | 5 | 5 | 3.1 | OCc1cc([C@@H](O)CNCCc2ccc(CNCCc3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2011.10.049 | |||
| 9837963 | 69745 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | |||
| CHEMBL17851 | 69745 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 255 | 4 | 2 | 5 | 1.5 | Cn1nccc1-c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(03)00050-7 | |||
| 9795167 | 114271 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL318544 | 114271 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 260 | 6 | 3 | 4 | 1.2 | CCCNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(02)00753-9 | |||
| 1201549 | 7384 | 24 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 333 | 7384 | 24 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 7601 | 7384 | 24 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL1201203 | 7384 | 24 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL438151 | 7384 | 24 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| DB00245 | 7384 | 24 | None | -12 | 20 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 1531 | 9046 | 69 | None | -14 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 3869 | 9046 | 69 | None | -14 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 7207 | 9046 | 69 | None | -14 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| CHEMBL429 | 9046 | 69 | None | -14 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| DB00598 | 9046 | 69 | None | -14 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 44362195 | 127867 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| CHEMBL357129 | 127867 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 241 | 4 | 2 | 3 | 2.1 | c1c[nH]c(-c2ccccc2OCC2=NCCN2)c1 | 10.1016/s0960-894x(01)00764-8 | |||
| 44269124 | 35591 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL13789 | 35591 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 4 | 1 | 3 | 2.7 | c1ccc(-c2ccccc2OCC2=NCCN2)cc1 | 10.1016/s0960-894x(02)00753-9 | |||
| 4418 | 40996 | 85 | None | 1 | 7 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL142635 | 40996 | 85 | None | 1 | 7 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 16215415 | 194111 | 1 | None | -3 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | |||
| CHEMBL493091 | 194111 | 1 | None | -3 | 5 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | |||
| 44343410 | 18327 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL118055 | 18327 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 219 | 4 | 2 | 3 | 2.7 | CSc1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | |||
| 24901141 | 77314 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1947157 | 77314 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 85469868 | 143558 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 6 | 0 | 5 | 3.7 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741260 | 143558 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 6 | 0 | 5 | 3.7 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 24900874 | 77158 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945293 | 77158 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 417 | 11 | 5 | 7 | 1.9 | COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 9816986 | 170918 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL421011 | 170918 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 6 | 2 | 4 | 1.6 | CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 9903313 | 179457 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL450018 | 179457 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 260 | 5 | 2 | 4 | 1.2 | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 107715 | 207724 | 22 | None | -13 | 20 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL1255837 | 207724 | 22 | None | -13 | 20 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL601773 | 207724 | 22 | None | -13 | 20 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| 24901351 | 77107 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944694 | 77107 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 85469753 | 143539 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 503 | 6 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Br)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3741079 | 143539 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 503 | 6 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1Cc1ccc(CCN2CCN(c3ccc(Br)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 2247 | 7293 | 81 | None | -31 | 42 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 7293 | 81 | None | -31 | 42 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 7293 | 81 | None | -31 | 42 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 7293 | 81 | None | -31 | 42 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 7293 | 81 | None | -31 | 42 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 24901348 | 77102 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944689 | 77102 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 11 | 5 | 6 | 4.8 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24901211 | 77106 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1944693 | 77106 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 493 | 12 | 5 | 7 | 3.5 | COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 | 10.1016/j.bmcl.2011.10.049 | |||
| 24900813 | 77141 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945042 | 77141 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 10 | 5 | 6 | 3.6 | O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1 | 10.1016/j.bmcl.2011.10.049 | |||
| 57401436 | 77176 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| CHEMBL1945504 | 77176 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 479 | 11 | 5 | 7 | 3.5 | COc1ccccc1CNCc1ccc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 | 10.1016/j.bmcl.2011.10.049 | |||
| 3033538 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 7155 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 781 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| CHEMBL1201216 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| DB00298 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 118112300 | 162773 | 18 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | |||
| CHEMBL4061793 | 162773 | 18 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 3.8 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F | 10.1016/j.bmcl.2017.03.085 | |||
| 85469870 | 143428 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740042 | 143428 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 4.2 | Cc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 | 10.1016/j.bmc.2015.11.020 | |||
| 135 | 9310 | 43 | None | -10 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 9310 | 43 | None | -10 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 9310 | 43 | None | -10 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 9310 | 43 | None | -10 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 9310 | 43 | None | -10 | 56 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 3168 | 16034 | 92 | None | -29 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| CHEMBL1108 | 16034 | 92 | None | -29 | 22 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 1353 | 8692 | 93 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 8692 | 93 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 8692 | 93 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 8692 | 93 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 8692 | 93 | None | -10 | 85 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 85469809 | 143479 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 0 | 5 | 4.1 | CC(=O)c1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740558 | 143479 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 0 | 5 | 4.1 | CC(=O)c1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 | 10.1016/j.bmc.2015.11.020 | |||
| 44343247 | 117412 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL325745 | 117412 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 258 | 6 | 3 | 3 | 2.2 | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 | 10.1016/s0960-894x(02)00753-9 | |||
| 3198 | 212292 | 76 | None | -30 | 34 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1201049 | 212292 | 76 | None | -30 | 34 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL808 | 212292 | 76 | None | -30 | 34 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 10198532 | 214475 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| CHEMBL95523 | 214475 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 232 | 4 | 3 | 4 | 0.5 | CNC(=O)c1ccccc1NCC1=NCCN1 | 10.1016/s0960-894x(01)00569-8 | |||
| 2389 | 10104 | 118 | None | -24 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 5073 | 10104 | 118 | None | -24 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 96 | 10104 | 118 | None | -24 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| CHEMBL85 | 10104 | 118 | None | -24 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| DB00734 | 10104 | 118 | None | -24 | 66 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 135398745 | 9688 | 112 | None | -24 | 65 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 47 | 9688 | 112 | None | -24 | 65 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| CHEMBL715 | 9688 | 112 | None | -24 | 65 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| DB00334 | 9688 | 112 | None | -24 | 65 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 44343257 | 17272 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | |||
| CHEMBL116700 | 17272 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 250 | 4 | 1 | 2 | 3.7 | c1ccc(-c2ccccc2OCc2c[nH]cn2)cc1 | 10.1016/s0960-894x(02)00753-9 | |||
| 85469757 | 143517 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 3.9 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1 | 10.1016/j.bmc.2015.11.020 | |||
| CHEMBL3740874 | 143517 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 468 | 6 | 0 | 5 | 3.9 | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1 | 10.1016/j.bmc.2015.11.020 | |||
| 2337 | 10030 | 77 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 50 | 10030 | 77 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 5002 | 10030 | 77 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| CHEMBL716 | 10030 | 77 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| DB01224 | 10030 | 77 | None | -2 | 62 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 2351 | 10059 | 64 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 2820 | 10059 | 64 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 5035 | 10059 | 64 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| CHEMBL81 | 10059 | 64 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| DB00481 | 10059 | 64 | None | -8 | 21 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 491 | 6980 | 9 | None | 3 | 12 | Rat | 10.7 | pKd | = | 10.7 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 9891167 | 6980 | 9 | None | 3 | 12 | Rat | 10.7 | pKd | = | 10.7 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13856 | 6980 | 9 | None | 3 | 12 | Rat | 10.7 | pKd | = | 10.7 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 490 | 6979 | 8 | None | 2 | 12 | Rat | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 9890547 | 6979 | 8 | None | 2 | 12 | Rat | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL268758 | 6979 | 8 | None | 2 | 12 | Rat | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 71817547 | 109355 | 0 | None | 7 | 7 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL2419771 | 109355 | 0 | None | 7 | 7 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL3040800 | 109355 | 0 | None | 7 | 7 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| 71817386 | 109363 | 0 | None | -1 | 7 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419769 | 109363 | 0 | None | -1 | 7 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL3040851 | 109363 | 0 | None | -1 | 7 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/j.ejmech.2015.04.005 | |||
| 4418 | 40996 | 85 | None | -12 | 7 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL142635 | 40996 | 85 | None | -12 | 7 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 73438500 | 125306 | 0 | None | 2 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415011 | 125306 | 0 | None | 2 | 3 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 392 | 7 | 2 | 4 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 10252540 | 92132 | 1 | None | -416 | 6 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261604 | 92132 | 1 | None | -416 | 6 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 155534921 | 178766 | 0 | None | -1 | 3 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 461 | 8 | 2 | 6 | 3.9 | COc1ccc(OC)c(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/j.bmc.2016.09.010 | |||
| CHEMBL4471070 | 178766 | 0 | None | -1 | 3 | Rat | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 461 | 8 | 2 | 6 | 3.9 | COc1ccc(OC)c(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/j.bmc.2016.09.010 | |||
| 4418 | 40996 | 85 | None | -12 | 7 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2019.05.004 | |||
| CHEMBL142635 | 40996 | 85 | None | -12 | 7 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmc.2019.05.004 | |||
| 73437678 | 125312 | 0 | None | 4 | 3 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 3.9 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415017 | 125312 | 0 | None | 4 | 3 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 3.9 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 148102091 | 180712 | 0 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 7 | 1 | 8 | 1.6 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)c3ccco3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | |||
| CHEMBL4540946 | 180712 | 0 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 444 | 7 | 1 | 8 | 1.6 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)c3ccco3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | |||
| 73437729 | 125313 | 0 | None | 2 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415018 | 125313 | 0 | None | 2 | 3 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 155567902 | 182773 | 0 | None | -5 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | |||
| CHEMBL4589115 | 182773 | 0 | None | -5 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1cc2c(cc1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)C(=O)C(C)OC2 | 10.1016/j.bmc.2019.05.004 | |||
| 71817549 | 109357 | 0 | None | -2 | 7 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3040803 | 109357 | 0 | None | -2 | 7 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3216590 | 109357 | 0 | None | -2 | 7 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| 118733023 | 125315 | 0 | None | 2 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415020 | 125315 | 0 | None | 2 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 4.6 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 76326562 | 112983 | 0 | None | -154 | 4 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261608 | 112983 | 0 | None | -154 | 4 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138761 | 112983 | 0 | None | -154 | 4 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 148774769 | 180666 | 0 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 456 | 8 | 1 | 8 | 2.4 | COc1cc2c(cc1OCC(O)CN1CCN(c3ccccc3OC)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | |||
| CHEMBL4539815 | 180666 | 0 | None | - | 1 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 456 | 8 | 1 | 8 | 2.4 | COc1cc2c(cc1OCC(O)CN1CCN(c3ccccc3OC)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | |||
| 127040061 | 143704 | 0 | None | -6 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3739932 | 143704 | 0 | None | -6 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3742489 | 143704 | 0 | None | -6 | 5 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| 73437675 | 125310 | 0 | None | 2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 408 | 7 | 3 | 5 | 2.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415015 | 125310 | 0 | None | 2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 408 | 7 | 3 | 5 | 2.8 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 9950711 | 115983 | 0 | None | -154 | 4 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL321644 | 115983 | 0 | None | -154 | 4 | Rat | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 359 | 4 | 2 | 3 | 3.2 | O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 73437730 | 125311 | 0 | None | 2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 437 | 8 | 2 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415016 | 125311 | 0 | None | 2 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 437 | 8 | 2 | 6 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 155563192 | 182101 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 2.4 | COc1ccc2c(c1OCC(O)CN1CCN(c3ccccc3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | |||
| CHEMBL4573703 | 182101 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 2.4 | COc1ccc2c(c1OCC(O)CN1CCN(c3ccccc3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | |||
| 86288950 | 119420 | 0 | None | 2 | 6 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 452 | 8 | 0 | 4 | 3.9 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | |||
| CHEMBL3233666 | 119420 | 0 | None | 2 | 6 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 452 | 8 | 0 | 4 | 3.9 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | |||
| CHEMBL3302931 | 119420 | 0 | None | 2 | 6 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 452 | 8 | 0 | 4 | 3.9 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3F)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | |||
| 71817545 | 98899 | 0 | None | 2 | 7 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419765 | 98899 | 0 | None | 2 | 7 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 155546966 | 180409 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1ccc2c(c1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | |||
| CHEMBL4533900 | 180409 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 448 | 7 | 1 | 8 | 0.9 | COc1ccc2c(c1OCC(O)CN1CCN(C(=O)C3CCCO3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | |||
| 73437673 | 125308 | 0 | None | 5 | 3 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 420 | 9 | 2 | 4 | 3.4 | COc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415013 | 125308 | 0 | None | 5 | 3 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 420 | 9 | 2 | 4 | 3.4 | COc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 2419 | 7482 | 28 | None | -3 | 11 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | |||
| 9 | 7482 | 28 | None | -3 | 11 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | |||
| CHEMBL13647 | 7482 | 28 | None | -3 | 11 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm400867d | |||
| 155569671 | 182974 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 470 | 9 | 1 | 8 | 2.8 | CCOc1ccccc1N1CCN(CC(O)COc2cc3c(cc2OC)COC(C)C3=O)CC1 | 10.1016/j.bmc.2019.05.004 | |||
| CHEMBL4593702 | 182974 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 470 | 9 | 1 | 8 | 2.8 | CCOc1ccccc1N1CCN(CC(O)COc2cc3c(cc2OC)COC(C)C3=O)CC1 | 10.1016/j.bmc.2019.05.004 | |||
| 73437674 | 125309 | 0 | None | 2 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 434 | 10 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415014 | 125309 | 0 | None | 2 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 434 | 10 | 2 | 4 | 3.8 | COc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 127040157 | 143705 | 0 | None | -1 | 5 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3739897 | 143705 | 0 | None | -1 | 5 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3742490 | 143705 | 0 | None | -1 | 5 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| 73438501 | 125307 | 0 | None | 1 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415012 | 125307 | 0 | None | 1 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 406 | 8 | 2 | 4 | 3.0 | COc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 73437677 | 125314 | 0 | None | 9 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 406 | 7 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3415019 | 125314 | 0 | None | 9 | 3 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 406 | 7 | 1 | 5 | 3.1 | COc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1 | 10.1016/j.ejmech.2015.04.005 | |||
| 10252540 | 92132 | 1 | None | -416 | 6 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261604 | 92132 | 1 | None | -416 | 6 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 73437676 | 125274 | 0 | None | 1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 422 | 8 | 2 | 5 | 3.1 | COc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1 | 10.1016/j.ejmech.2015.04.005 | |||
| CHEMBL3414578 | 125274 | 0 | None | 1 | 3 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 422 | 8 | 2 | 5 | 3.1 | COc1ccc2[nH]c(C(=O)NCCCN3CCN(c4ccccc4OC)CC3)cc2c1 | 10.1016/j.ejmech.2015.04.005 | |||
| 76330229 | 113012 | 0 | None | -190 | 4 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261605 | 113012 | 0 | None | -190 | 4 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138857 | 113012 | 0 | None | -190 | 4 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 9903797 | 16211 | 5 | None | -18 | 4 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | |||
| CHEMBL111734 | 16211 | 5 | None | -18 | 4 | Rat | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | |||
| 2419 | 7482 | 28 | None | -3 | 11 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| 9 | 7482 | 28 | None | -3 | 11 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13647 | 7482 | 28 | None | -3 | 11 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| 9976756 | 13379 | 0 | None | -1 | 5 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL1083181 | 13379 | 0 | None | -1 | 5 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL37883 | 13379 | 0 | None | -1 | 5 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| 147858071 | 177718 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 2.4 | COc1cc2c(cc1OCC(O)CN1CCN(c3ccccc3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | |||
| CHEMBL4455376 | 177718 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 426 | 7 | 1 | 7 | 2.4 | COc1cc2c(cc1OCC(O)CN1CCN(c3ccccc3)CC1)COC(C)C2=O | 10.1016/j.bmc.2019.05.004 | |||
| 9838192 | 118089 | 18 | None | -2 | 6 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL326702 | 118089 | 18 | None | -2 | 6 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| 86288949 | 119402 | 0 | None | 5 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 434 | 8 | 0 | 4 | 3.8 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | |||
| CHEMBL3233665 | 119402 | 0 | None | 5 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 434 | 8 | 0 | 4 | 3.8 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | |||
| CHEMBL3302599 | 119402 | 0 | None | 5 | 5 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 434 | 8 | 0 | 4 | 3.8 | CN1C(=O)N(CCCCCN2CCN(c3ccccc3)CC2)C(C)(c2ccccc2)C1=O | 10.1016/j.ejmech.2014.01.065 | |||
| 76326541 | 92116 | 0 | None | -60 | 4 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261355 | 92116 | 0 | None | -60 | 4 | Rat | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 155559152 | 181559 | 0 | None | 21 | 3 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 431 | 7 | 2 | 5 | 3.9 | COc1ccc(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmc.2016.09.010 | |||
| CHEMBL4561614 | 181559 | 0 | None | 21 | 3 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 431 | 7 | 2 | 5 | 3.9 | COc1ccc(N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmc.2016.09.010 | |||
| 76308474 | 113011 | 0 | None | -102 | 5 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261607 | 113011 | 0 | None | -102 | 5 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138856 | 113011 | 0 | None | -102 | 5 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | |||
| 76323010 | 113025 | 0 | None | -104 | 4 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261606 | 113025 | 0 | None | -104 | 4 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138929 | 113025 | 0 | None | -104 | 4 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 521 | 8186 | 69 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | |||
| 5311068 | 8186 | 69 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | |||
| 835 | 8186 | 69 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | |||
| CHEMBL778 | 8186 | 69 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | |||
| DB00633 | 8186 | 69 | None | 2 | 7 | Human | 10.8 | pKi | = | 10.8 | Binding | ChEMBL | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | 10.1021/jm0003891 | |||
| 164089 | 117130 | 24 | None | 1 | 5 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | |||
| CHEMBL324090 | 117130 | 24 | None | 1 | 5 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | |||
| 11583392 | 79689 | 1 | None | 7 | 4 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1 | 10.1021/jm0580398 | |||
| CHEMBL200446 | 79689 | 1 | None | 7 | 4 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1 | 10.1021/jm0580398 | |||
| 9891213 | 168281 | 0 | None | 4 | 6 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4128084 | 168281 | 0 | None | 4 | 6 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 164089 | 117130 | 24 | None | -1 | 5 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | |||
| CHEMBL324090 | 117130 | 24 | None | -1 | 5 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 395 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 | 10.1021/jm00018a001 | |||
| 11554541 | 78583 | 0 | None | 7 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm0580398 | |||
| CHEMBL196817 | 78583 | 0 | None | 7 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1021/jm0580398 | |||
| 11626704 | 79229 | 0 | None | 3 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1021/jm0580398 | |||
| CHEMBL198860 | 79229 | 0 | None | 3 | 4 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1 | 10.1021/jm0580398 | |||
| 13155 | 10195 | 0 | None | 16 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 10.1016/j.ejmech.2014.06.057 | |||
| 90645598 | 10195 | 0 | None | 16 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3297829 | 10195 | 0 | None | 16 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 10.1016/j.ejmech.2014.06.057 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm970364a | |||
| 9824384 | 125565 | 1 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL342062 | 125565 | 1 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 11712470 | 78780 | 0 | None | 5 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1021/jm0580398 | |||
| CHEMBL197442 | 78780 | 0 | None | 5 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 | 10.1021/jm0580398 | |||
| 11604548 | 79663 | 0 | None | 3 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1021/jm0580398 | |||
| CHEMBL200366 | 79663 | 0 | None | 3 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1 | 10.1021/jm0580398 | |||
| 145962342 | 168202 | 0 | None | 2 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4126860 | 168202 | 0 | None | 2 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@@H]3CCCC[C@@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | |||
| 10364994 | 174664 | 0 | None | 6 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1021/jm0580398 | |||
| CHEMBL43116 | 174664 | 0 | None | 6 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1021/jm0580398 | |||
| 10364994 | 174664 | 0 | None | 6 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL43116 | 174664 | 0 | None | 6 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 13 | 1 | 6 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 9883062 | 66116 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL170694 | 66116 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1744288 | 66116 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| 10782052 | 127527 | 1 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 3.6 | Brc1csc(Cc2c[nH]cn2)c1Br | 10.1021/jm0003891 | |||
| CHEMBL1203855 | 127527 | 1 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 3.6 | Brc1csc(Cc2c[nH]cn2)c1Br | 10.1021/jm0003891 | |||
| CHEMBL355045 | 127527 | 1 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 3.6 | Brc1csc(Cc2c[nH]cn2)c1Br | 10.1021/jm0003891 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| 488 | 10521 | 78 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm990567u | |||
| 12765746 | 109057 | 4 | None | 2 | 9 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL303313 | 109057 | 4 | None | 2 | 9 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| 9992606 | 172490 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1cscc1Br | 10.1021/jm0003891 | |||
| CHEMBL1788145 | 172490 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1cscc1Br | 10.1021/jm0003891 | |||
| CHEMBL424573 | 172490 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1cscc1Br | 10.1021/jm0003891 | |||
| 34580 | 24663 | 2 | None | 1 | 4 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 335 | 1 | 0 | 4 | 3.6 | CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259112 | 24663 | 2 | None | 1 | 4 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 335 | 1 | 0 | 4 | 3.6 | CN1CCN(C2Cc3ccccc3Sc3ccc(C#N)cc32)CC1 | 10.1021/jm100652h | |||
| 10775970 | 127221 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 232 | 2 | 1 | 2 | 3.4 | Clc1cc(Cc2c[nH]cn2)c(Cl)s1 | 10.1021/jm0003891 | |||
| CHEMBL1744273 | 127221 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 232 | 2 | 1 | 2 | 3.4 | Clc1cc(Cc2c[nH]cn2)c(Cl)s1 | 10.1021/jm0003891 | |||
| CHEMBL353904 | 127221 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 232 | 2 | 1 | 2 | 3.4 | Clc1cc(Cc2c[nH]cn2)c(Cl)s1 | 10.1021/jm0003891 | |||
| 11742834 | 172549 | 0 | None | -2 | 7 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | |||
| CHEMBL42472 | 172549 | 0 | None | -2 | 7 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1 | 10.1021/jm011066n | |||
| 11984570 | 99579 | 0 | None | -2 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243694 | 99579 | 0 | None | -2 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 9813184 | 127548 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2c(Cc3c[nH]cn3)csc2c1 | 10.1021/jm0003891 | |||
| CHEMBL1744270 | 127548 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2c(Cc3c[nH]cn3)csc2c1 | 10.1021/jm0003891 | |||
| CHEMBL355340 | 127548 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2c(Cc3c[nH]cn3)csc2c1 | 10.1021/jm0003891 | |||
| 11669646 | 79723 | 0 | None | 3 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 | 10.1021/jm0580398 | |||
| CHEMBL200580 | 79723 | 0 | None | 3 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1 | 10.1021/jm0580398 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.ejmech.2010.09.042 | |||
| 10845433 | 66143 | 1 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(C)c1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL170806 | 66143 | 1 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(C)c1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1744272 | 66143 | 1 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(C)c1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| 9822814 | 108726 | 0 | None | 72 | 5 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL301224 | 108726 | 0 | None | 72 | 5 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 409 | 4 | 0 | 3 | 4.3 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 11539392 | 148020 | 0 | None | 6 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C | 10.1021/jm0580398 | |||
| CHEMBL382972 | 148020 | 0 | None | 6 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C | 10.1021/jm0580398 | |||
| 9954092 | 203425 | 0 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL56438 | 203425 | 0 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 9954092 | 203425 | 0 | None | -1 | 6 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56438 | 203425 | 0 | None | -1 | 6 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 10434440 | 212273 | 0 | None | 4 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 461 | 8 | 1 | 8 | 2.9 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80641 | 212273 | 0 | None | 4 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 461 | 8 | 1 | 8 | 2.9 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 44431620 | 93842 | 0 | None | 102 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232609 | 93842 | 0 | None | 102 | 4 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 9908478 | 202415 | 1 | None | 6 | 7 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm030944+ | |||
| CHEMBL556313 | 202415 | 1 | None | 6 | 7 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm030944+ | |||
| 49781892 | 24673 | 0 | None | -1 | 4 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259144 | 24673 | 0 | None | -1 | 4 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 90645597 | 119266 | 0 | None | 2 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 654 | 12 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298750 | 119266 | 0 | None | 2 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 654 | 12 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 12765746 | 109057 | 4 | None | 2 | 9 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | |||
| CHEMBL303313 | 109057 | 4 | None | 2 | 9 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | |||
| 52942381 | 24664 | 0 | None | -3 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 339 | 2 | 1 | 4 | 3.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259113 | 24664 | 0 | None | -3 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 339 | 2 | 1 | 4 | 3.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1 | 10.1021/jm100652h | |||
| 10430193 | 168377 | 0 | None | 4 | 6 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4129461 | 168377 | 0 | None | 4 | 6 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 16721110 | 90464 | 0 | None | 7 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 451 | 5 | 1 | 6 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL220515 | 90464 | 0 | None | 7 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 451 | 5 | 1 | 6 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 132266 | 8061 | 12 | None | -5 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | |||
| 486 | 8061 | 12 | None | -5 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | |||
| CHEMBL423294 | 8061 | 12 | None | -5 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm8016046 | |||
| 45268939 | 203439 | 0 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| CHEMBL564481 | 203439 | 0 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| 491 | 6980 | 9 | None | 3 | 12 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 9891167 | 6980 | 9 | None | 3 | 12 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13856 | 6980 | 9 | None | 3 | 12 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/acs.jmedchem.9b01465 | |||
| 49781893 | 24674 | 0 | None | -1 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259145 | 24674 | 0 | None | -1 | 4 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 10655390 | 127216 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(Cc2c[nH]cn2)c1C | 10.1021/jm0003891 | |||
| CHEMBL1203846 | 127216 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(Cc2c[nH]cn2)c1C | 10.1021/jm0003891 | |||
| CHEMBL353870 | 127216 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1csc(Cc2c[nH]cn2)c1C | 10.1021/jm0003891 | |||
| 52947579 | 23822 | 0 | None | 2 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 439 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254582 | 23822 | 0 | None | 2 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 439 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 9844321 | 107638 | 0 | None | 54 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL293539 | 107638 | 0 | None | 54 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm9905918 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/acs.jmedchem.5b01528 | |||
| 10706270 | 127600 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | |||
| CHEMBL1237159 | 127600 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | |||
| CHEMBL355784 | 127600 | 1 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | |||
| 44289437 | 176642 | 0 | None | 1 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | |||
| CHEMBL44403 | 176642 | 0 | None | 1 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 431 | 9 | 1 | 5 | 4.7 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O | 10.1021/jm011066n | |||
| 14423371 | 104230 | 1 | None | -1 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| CHEMBL27013 | 104230 | 1 | None | -1 | 7 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 441 | 11 | 1 | 8 | 3.6 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| 11633517 | 79300 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1 | 10.1021/jm0580398 | |||
| CHEMBL199080 | 79300 | 0 | None | 1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 437 | 13 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1 | 10.1021/jm0580398 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.008 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.04.098 | |||
| 9823115 | 205382 | 0 | None | 85 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57868 | 205382 | 0 | None | 85 | 5 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 414 | 4 | 0 | 5 | 3.0 | N#Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1016/j.bmcl.2007.11.068 | |||
| 44431180 | 99624 | 0 | None | 9 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 497 | 5 | 0 | 5 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243864 | 99624 | 0 | None | 9 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 497 | 5 | 0 | 5 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 4209 | 9937 | 75 | None | -2 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| 4893 | 9937 | 75 | None | -2 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| 503 | 9937 | 75 | None | -2 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| 5385 | 9937 | 75 | None | -2 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| CHEMBL2 | 9937 | 75 | None | -2 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| DB00457 | 9937 | 75 | None | -2 | 33 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm020938y | |||
| 10812130 | 205960 | 0 | None | -2 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | |||
| CHEMBL58956 | 205960 | 0 | None | -2 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | |||
| 49782998 | 24689 | 0 | None | -1 | 6 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259190 | 24689 | 0 | None | -1 | 6 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 490 | 6979 | 8 | None | 2 | 12 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 9890547 | 6979 | 8 | None | 2 | 12 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL268758 | 6979 | 8 | None | 2 | 12 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm9810654 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm030952q | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.ejmech.2017.05.003 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm049153d | |||
| 13911290 | 34944 | 0 | None | -1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13735 | 34944 | 0 | None | -1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm0009336 | |||
| 6603950 | 210103 | 9 | None | 1 | 8 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL64875 | 210103 | 9 | None | 1 | 8 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| 11776530 | 127599 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1744289 | 127599 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL355783 | 127599 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| 10622402 | 209539 | 0 | None | -6 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 427 | 5 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | |||
| CHEMBL62028 | 209539 | 0 | None | -6 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 427 | 5 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | |||
| 49781452 | 24638 | 0 | None | -1 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 388 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259042 | 24638 | 0 | None | -1 | 4 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 388 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 | 10.1021/jm100652h | |||
| 10097792 | 125367 | 0 | None | -1 | 8 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| CHEMBL341665 | 125367 | 0 | None | -1 | 8 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 508 | 13 | 1 | 8 | 4.1 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| 50905381 | 63124 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630938 | 63124 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 422 | 11 | 2 | 6 | 2.7 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 11134424 | 111508 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 465 | 7 | 1 | 7 | 3.5 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0009336 | |||
| CHEMBL310599 | 111508 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 465 | 7 | 1 | 7 | 3.5 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm0009336 | |||
| 10005161 | 212028 | 0 | None | -1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0009336 | |||
| CHEMBL78874 | 212028 | 0 | None | -1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 | 10.1021/jm0009336 | |||
| 9847845 | 35226 | 0 | None | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13754 | 35226 | 0 | None | 1 | 6 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960697s | |||
| 11712250 | 79775 | 0 | None | 2 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl | 10.1021/jm0580398 | |||
| CHEMBL200839 | 79775 | 0 | None | 2 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 457 | 13 | 1 | 6 | 5.0 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl | 10.1021/jm0580398 | |||
| 490 | 6979 | 8 | None | -2 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 9890547 | 6979 | 8 | None | -2 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL268758 | 6979 | 8 | None | -2 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 10.1016/s0960-894x(01)00159-7 | |||
| 10673690 | 107278 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(N)=O)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL291073 | 107278 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(N)=O)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10536288 | 127031 | 2 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.2 | CCc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1744263 | 127031 | 2 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.2 | CCc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL352348 | 127031 | 2 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.2 | CCc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| 9955302 | 106943 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL287965 | 106943 | 0 | None | 1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10511960 | 127540 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1744278 | 127540 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL355231 | 127540 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 192 | 3 | 1 | 2 | 2.6 | CCc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm981006q | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00010a001 | |||
| 4209 | 9937 | 75 | None | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 4893 | 9937 | 75 | None | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 503 | 9937 | 75 | None | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 5385 | 9937 | 75 | None | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| CHEMBL2 | 9937 | 75 | None | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| DB00457 | 9937 | 75 | None | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm980053f | |||
| 13156 | 10220 | 0 | None | 416 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 10.1016/j.ejmech.2017.07.071 | |||
| 145946376 | 10220 | 0 | None | 416 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4299993 | 10220 | 0 | None | 416 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 10.1016/j.ejmech.2017.07.071 | |||
| 4431 | 9506 | 25 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | |||
| 73 | 9506 | 25 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL8618 | 9506 | 25 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 10.1016/j.bmcl.2006.12.111 | |||
| 44431174 | 99578 | 0 | None | 8 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243692 | 99578 | 0 | None | 8 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm990201h | |||
| 13911290 | 34944 | 0 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13735 | 34944 | 0 | None | -1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 386 | 5 | 1 | 7 | 1.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 10553935 | 168599 | 0 | None | 1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL41444 | 168599 | 0 | None | 1 | 3 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 491 | 6980 | 9 | None | -3 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 9891167 | 6980 | 9 | None | -3 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13856 | 6980 | 9 | None | -3 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 10.1016/s0960-894x(01)00159-7 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 11532563 | 173158 | 0 | None | 6 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1021/jm0580398 | |||
| CHEMBL427552 | 173158 | 0 | None | 6 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1 | 10.1021/jm0580398 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 49781447 | 24616 | 0 | None | -3 | 4 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 391 | 2 | 0 | 6 | 3.5 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1258988 | 24616 | 0 | None | -3 | 4 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 391 | 2 | 0 | 6 | 3.5 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ncn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | nan | |||
| 50905585 | 63125 | 0 | None | 1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 470 | 12 | 2 | 6 | 3.5 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630939 | 63125 | 0 | None | 1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 470 | 12 | 2 | 6 | 3.5 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 3157 | 8252 | 71 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| 7170 | 8252 | 71 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| 954 | 8252 | 71 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| DB00590 | 8252 | 71 | None | -1 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1016/j.ejmech.2017.05.003 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/s0960-894x(99)00484-9 | |||
| 145956955 | 168880 | 0 | None | -1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4161165 | 168880 | 0 | None | -1 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 11505007 | 175702 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL438673 | 175702 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 10657835 | 127192 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1203850 | 127192 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL353666 | 127192 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 242 | 2 | 1 | 2 | 2.8 | Brc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| 9847196 | 36954 | 0 | None | -1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13903 | 36954 | 0 | None | -1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 4013695 | 108792 | 20 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL301707 | 108792 | 20 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 4013695 | 108792 | 20 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL301707 | 108792 | 20 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 4013695 | 108792 | 20 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL301707 | 108792 | 20 | None | -1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 419 | 5 | 2 | 6 | 2.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 9887458 | 202452 | 0 | None | 70 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL55654 | 202452 | 0 | None | 70 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 11303253 | 205376 | 0 | None | 6 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 371 | 5 | 0 | 4 | 3.0 | COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57859 | 205376 | 0 | None | 6 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 371 | 5 | 0 | 4 | 3.0 | COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 49781894 | 24678 | 0 | None | 1 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259158 | 24678 | 0 | None | 1 | 4 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 3 | 1 | 4 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 | 10.1021/jm100652h | |||
| 10742076 | 107094 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL289361 | 107094 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 10411384 | 163943 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40754 | 163943 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 90645596 | 119265 | 0 | None | 2 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 640 | 11 | 3 | 9 | 3.8 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298749 | 119265 | 0 | None | 2 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 640 | 11 | 3 | 9 | 3.8 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10549596 | 91380 | 1 | None | -1 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153553 | 91380 | 1 | None | -1 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2221147 | 91380 | 1 | None | -1 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 52945803 | 23838 | 0 | None | 2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 451 | 15 | 1 | 6 | 5.1 | CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254742 | 23838 | 0 | None | 2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 451 | 15 | 1 | 6 | 5.1 | CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 69782867 | 168362 | 0 | None | -2 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4129291 | 168362 | 0 | None | -2 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 549 | 8 | 1 | 9 | 4.4 | COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 11430491 | 69775 | 0 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| CHEMBL178673 | 69775 | 0 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 435 | 5 | 1 | 9 | 2.4 | COc1cc2nc(N3CCN(C(=O)CC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| 10583912 | 127592 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1744271 | 127592 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL355699 | 127592 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1cscc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| 44420428 | 90269 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL220221 | 90269 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 44420428 | 90269 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL220221 | 90269 | 0 | None | 3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 122179430 | 128219 | 0 | None | -3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| CHEMBL3582270 | 128219 | 0 | None | -3 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 599 | 8 | 1 | 13 | 2.7 | CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| 10822829 | 172344 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 220 | 4 | 1 | 2 | 3.2 | CCc1cc(Cc2c[nH]cn2)c(CC)s1 | 10.1021/jm0003891 | |||
| CHEMBL1744276 | 172344 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 220 | 4 | 1 | 2 | 3.2 | CCc1cc(Cc2c[nH]cn2)c(CC)s1 | 10.1021/jm0003891 | |||
| CHEMBL424210 | 172344 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 220 | 4 | 1 | 2 | 3.2 | CCc1cc(Cc2c[nH]cn2)c(CC)s1 | 10.1021/jm0003891 | |||
| 10971791 | 215097 | 0 | None | 7 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL99142 | 215097 | 0 | None | 7 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 417 | 5 | 1 | 7 | 3.4 | COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4nc-3c2O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 10527466 | 209466 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 5 | 2 | 6 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL61598 | 209466 | 0 | None | 1 | 3 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 5 | 2 | 6 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 11464777 | 108582 | 0 | None | 32 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL300152 | 108582 | 0 | None | 32 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | CC(CN1CCN(c2cc(Cl)ccc2Cl)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 11092254 | 212245 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 495 | 8 | 1 | 8 | 3.5 | COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80458 | 212245 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 495 | 8 | 1 | 8 | 3.5 | COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 10074286 | 212283 | 0 | None | -2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 489 | 9 | 1 | 8 | 3.5 | COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80730 | 212283 | 0 | None | -2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 489 | 9 | 1 | 8 | 3.5 | COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.01.025 | |||
| 10783054 | 127493 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 334 | 2 | 1 | 2 | 4.1 | CC(c1c[nH]cn1)c1scc(Br)c1Br | 10.1021/jm0003891 | |||
| CHEMBL1744280 | 127493 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 334 | 2 | 1 | 2 | 4.1 | CC(c1c[nH]cn1)c1scc(Br)c1Br | 10.1021/jm0003891 | |||
| CHEMBL354729 | 127493 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 334 | 2 | 1 | 2 | 4.1 | CC(c1c[nH]cn1)c1scc(Br)c1Br | 10.1021/jm0003891 | |||
| 44289248 | 175755 | 0 | None | -4 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | |||
| CHEMBL43905 | 175755 | 0 | None | -4 | 7 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | |||
| 10726009 | 65972 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL170134 | 65972 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1744294 | 65972 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1sccc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| 9837285 | 65805 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1203848 | 65805 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL169339 | 65805 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccsc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1016/j.bmcl.2013.12.024 | |||
| 9847845 | 35226 | 0 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13754 | 35226 | 0 | None | -1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 6603950 | 210103 | 9 | None | 1 | 8 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | |||
| CHEMBL64875 | 210103 | 9 | None | 1 | 8 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm020938y | |||
| 10631172 | 66341 | 2 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL171772 | 66341 | 2 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1744291 | 66341 | 2 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1cscc1Cc1c[nH]cn1 | 10.1021/jm0003891 | |||
| 24894147 | 202660 | 0 | None | 2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| CHEMBL558890 | 202660 | 0 | None | 2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| 10834793 | 91354 | 0 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153557 | 91354 | 0 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220925 | 91354 | 0 | None | 1 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 11430126 | 67337 | 0 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| CHEMBL175934 | 67337 | 0 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 421 | 4 | 1 | 9 | 2.0 | COc1cc2nc(N3CCN(C(=O)C4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| 10961351 | 170280 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 3.0 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0009336 | |||
| CHEMBL420205 | 170280 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 449 | 7 | 1 | 7 | 3.0 | CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0009336 | |||
| 44431184 | 99625 | 0 | None | 2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243866 | 99625 | 0 | None | 2 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 10744687 | 107202 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(N)=O)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL290388 | 107202 | 0 | None | 1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 490 | 5 | 2 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(N)=O)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10527469 | 163044 | 3 | None | -1 | 16 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40650 | 163044 | 3 | None | -1 | 16 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm011066n | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm021078o | |||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | |||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | |||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | |||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2020.112419 | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm030952q | |||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1016/j.bmc.2010.08.002 | |||
| 52942152 | 23839 | 0 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 438 | 13 | 1 | 7 | 4.2 | COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254743 | 23839 | 0 | None | 2 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 438 | 13 | 1 | 7 | 4.2 | COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm991065j | |||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm800461k | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm301525w | |||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| 13305910 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL1182155 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL215421 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL3741808 | 18608 | 1 | None | -2 | 9 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| 10678154 | 177380 | 0 | None | -1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL445071 | 177380 | 0 | None | -1 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 2894 | 214850 | 6 | None | -1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| CHEMBL97698 | 214850 | 6 | None | -1 | 6 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| 11234230 | 108478 | 0 | None | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL299454 | 108478 | 0 | None | 1 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 375 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 132266 | 8061 | 12 | None | -20 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 486 | 8061 | 12 | None | -20 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| CHEMBL423294 | 8061 | 12 | None | -20 | 9 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 90645592 | 119261 | 0 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 555 | 7 | 2 | 8 | 4.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298745 | 119261 | 0 | None | 1 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 555 | 7 | 2 | 8 | 4.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10844296 | 208194 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL60471 | 208194 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10767959 | 167725 | 0 | None | 2 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C#N)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL41155 | 167725 | 0 | None | 2 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C#N)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 121102 | 150744 | 2 | None | 3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 370 | 8 | 0 | 5 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL3902626 | 150744 | 2 | None | 3 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 370 | 8 | 0 | 5 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| 49781449 | 24623 | 0 | None | -2 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259006 | 24623 | 0 | None | -2 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccn4)cc32)CC1 | 10.1021/jm100652h | |||
| 10838523 | 107977 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL295741 | 107977 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10763038 | 209454 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL61491 | 209454 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10742076 | 107094 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL289361 | 107094 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 10698013 | 107216 | 0 | None | -2 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 518 | 5 | 1 | 7 | 3.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL290519 | 107216 | 0 | None | -2 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 518 | 5 | 1 | 7 | 3.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C(=O)N(C)C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 44431602 | 151719 | 0 | None | 6 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391035 | 151719 | 0 | None | 6 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 49782794 | 24688 | 0 | None | -2 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259189 | 24688 | 0 | None | -2 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 409 | 4 | 1 | 4 | 4.0 | CC(C)C(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 10504673 | 209452 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL61483 | 209452 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 44469973 | 146480 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 3.0 | CC(c1cccc(Cl)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3798124 | 146480 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 3.0 | CC(c1cccc(Cl)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| 2435 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| 60149 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| 98 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| CHEMBL12713 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| DB06144 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm020938y | |||
| 2435 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| 60149 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| 98 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL12713 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| DB06144 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1016/j.bmc.2012.10.049 | |||
| 2435 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| 60149 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| 98 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| CHEMBL12713 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| DB06144 | 10362 | 83 | None | -4 | 48 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1021/jm100652h | |||
| 49781451 | 24630 | 0 | None | 1 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259024 | 24630 | 0 | None | 1 | 4 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccncc4)cc32)CC1 | 10.1021/jm100652h | |||
| 11270912 | 206371 | 0 | None | 2 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL59262 | 206371 | 0 | None | 2 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 4.6 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44431560 | 152356 | 0 | None | 2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL391530 | 152356 | 0 | None | 2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 10789770 | 107662 | 0 | None | -3 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL293695 | 107662 | 0 | None | -3 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10502807 | 169924 | 0 | None | 3 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.1 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL417890 | 169924 | 0 | None | 3 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.1 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c(oc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 10741071 | 175996 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL440865 | 175996 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 9932698 | 24681 | 0 | None | -3 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 3.4 | NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | |||
| CHEMBL1259172 | 24681 | 0 | None | -3 | 6 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 435 | 6 | 2 | 4 | 3.4 | NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | |||
| 10797836 | 127176 | 2 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1cc(Cc2c[nH]cn2)c(C)s1 | 10.1021/jm0003891 | |||
| CHEMBL1744277 | 127176 | 2 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1cc(Cc2c[nH]cn2)c(C)s1 | 10.1021/jm0003891 | |||
| CHEMBL353505 | 127176 | 2 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.7 | Cc1cc(Cc2c[nH]cn2)c(C)s1 | 10.1021/jm0003891 | |||
| 10718317 | 107302 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL291262 | 107302 | 0 | None | -1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 71462043 | 91343 | 0 | None | -1 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153555 | 91343 | 0 | None | -1 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220895 | 91343 | 0 | None | -1 | 7 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 10740369 | 208642 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 411 | 4 | 1 | 6 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL60721 | 208642 | 0 | None | 1 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 411 | 4 | 1 | 6 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 9891166 | 40386 | 0 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL14213 | 40386 | 0 | None | -1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 476 | 6 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 10344976 | 107992 | 2 | None | -1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| CHEMBL29591 | 107992 | 2 | None | -1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 11 | 1 | 10 | 3.4 | COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC | 10.1021/jm9810654 | |||
| 10606657 | 208267 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL60510 | 208267 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10765077 | 107038 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 4 | 2 | 5 | 2.8 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL288809 | 107038 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 4 | 2 | 5 | 2.8 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 10839391 | 164149 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40780 | 164149 | 0 | None | -1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C#N)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 52940951 | 23851 | 0 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 12 | 1 | 5 | 5.0 | COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254828 | 23851 | 0 | None | 3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 12 | 1 | 5 | 5.0 | COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 17753379 | 94578 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233816 | 94578 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10655911 | 127083 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 3.2 | Cc1csc(C(C)c2c[nH]cn2)c1C | 10.1021/jm0003891 | |||
| CHEMBL1744281 | 127083 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 3.2 | Cc1csc(C(C)c2c[nH]cn2)c1C | 10.1021/jm0003891 | |||
| CHEMBL352752 | 127083 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 3.2 | Cc1csc(C(C)c2c[nH]cn2)c1C | 10.1021/jm0003891 | |||
| 90645605 | 119215 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 666 | 13 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298023 | 119215 | 0 | None | 1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 666 | 13 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 11857638 | 150588 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL390129 | 150588 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 10647175 | 138233 | 0 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 449 | 5 | 1 | 7 | 2.1 | COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | |||
| CHEMBL369154 | 138233 | 0 | None | -2 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 449 | 5 | 1 | 7 | 2.1 | COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 | 10.1021/jm000541z | |||
| 10693231 | 209541 | 0 | None | -5 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL62033 | 209541 | 0 | None | -5 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 416 | 4 | 1 | 6 | 2.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 9913988 | 24687 | 0 | None | -1 | 4 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 502 | 7 | 1 | 7 | 3.1 | Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | |||
| CHEMBL1259188 | 24687 | 0 | None | -1 | 4 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 502 | 7 | 1 | 7 | 3.1 | Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | |||
| 1238 | 209953 | 24 | None | -3 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL64249 | 209953 | 24 | None | -3 | 16 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | 10.1021/jm100652h | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| 10487999 | 66172 | 5 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1237160 | 66172 | 5 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL170960 | 66172 | 5 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| 4209 | 9937 | 75 | None | -2 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 4893 | 9937 | 75 | None | -2 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 503 | 9937 | 75 | None | -2 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 5385 | 9937 | 75 | None | -2 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| CHEMBL2 | 9937 | 75 | None | -2 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| DB00457 | 9937 | 75 | None | -2 | 33 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm00018a001 | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 44431587 | 94609 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233849 | 94609 | 0 | None | 1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431194 | 99335 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243229 | 99335 | 0 | None | -1 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccncc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 52949448 | 23433 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242352 | 23433 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 3157 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| 7170 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| 954 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| DB00590 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm0580398 | |||
| 3157 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| 7170 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| 954 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| DB00590 | 8252 | 71 | None | -1 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm8016046 | |||
| 57393527 | 78333 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946777 | 78333 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| CHEMBL1963046 | 78333 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| 57393527 | 78333 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL1946777 | 78333 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL1963046 | 78333 | 0 | None | -3 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 430 | 6 | 0 | 5 | 4.1 | COc1ccccc1N1CCN(CC2COC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| 9864325 | 108515 | 1 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0491391 | |||
| CHEMBL299691 | 108515 | 1 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm0491391 | |||
| 44300018 | 205072 | 0 | None | 5 | 4 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57593 | 205072 | 0 | None | 5 | 4 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44420431 | 91512 | 0 | None | 4 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 5 | 0 | 7 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL222896 | 91512 | 0 | None | 4 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 468 | 5 | 0 | 7 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 11372228 | 108444 | 0 | None | 11 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | |||
| CHEMBL299253 | 108444 | 0 | None | 11 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 373 | 4 | 0 | 3 | 3.8 | O=C1CC2(C=CN1CCN1CCN(c3ccccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm970364a | |||
| 49832191 | 174318 | 0 | None | 407 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4218307 | 174318 | 0 | None | 407 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4300210 | 174318 | 0 | None | 407 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| 25025244 | 146874 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3800606 | 146874 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 2894 | 214850 | 6 | None | -1 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm020938y | |||
| CHEMBL97698 | 214850 | 6 | None | -1 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)C4CCCCC43)nc(N)c2cc1OC | 10.1021/jm020938y | |||
| 10696645 | 150900 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL39037 | 150900 | 0 | None | 1 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 2585 | 7590 | 103 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 7590 | 103 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 7590 | 103 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 7590 | 103 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 7590 | 103 | None | -4 | 22 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 10716965 | 174739 | 0 | None | -10 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL431720 | 174739 | 0 | None | -10 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 11454386 | 69881 | 0 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| CHEMBL178923 | 69881 | 0 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 477 | 8 | 1 | 9 | 3.6 | COc1cc2nc(N3CCN(C(=O)CCCCC4CCSS4)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| 9864325 | 108515 | 1 | None | -1 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm030944+ | |||
| CHEMBL299691 | 108515 | 1 | None | -1 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2F)CC1 | 10.1021/jm030944+ | |||
| 90645593 | 119262 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 569 | 8 | 2 | 8 | 3.9 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298746 | 119262 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 569 | 8 | 2 | 8 | 3.9 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 11619713 | 79592 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-] | 10.1021/jm0580398 | |||
| CHEMBL200136 | 79592 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 468 | 14 | 1 | 8 | 4.2 | COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-] | 10.1021/jm0580398 | |||
| 52943356 | 23852 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.6 | COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254829 | 23852 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.6 | COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 118716718 | 121790 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342871 | 121790 | 0 | None | 3 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 71454559 | 86419 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21 | 10.1021/jm000541z | |||
| CHEMBL2115086 | 86419 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21 | 10.1021/jm000541z | |||
| 10692195 | 107382 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL291839 | 107382 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 11176459 | 108414 | 0 | None | 5 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL299022 | 108414 | 0 | None | 5 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 2.4 | N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 44294569 | 108796 | 0 | None | 5 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 7 | 1 | 8 | 2.5 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1 | 10.1021/jm981006q | |||
| CHEMBL301726 | 108796 | 0 | None | 5 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 7 | 1 | 8 | 2.5 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1 | 10.1021/jm981006q | |||
| 11751173 | 70200 | 0 | None | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| CHEMBL179743 | 70200 | 0 | None | -1 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 445 | 4 | 1 | 9 | 2.3 | COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1021/jm049153d | |||
| 10095156 | 85318 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL2112073 | 85318 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 9908478 | 202415 | 1 | None | -6 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm0491391 | |||
| CHEMBL556313 | 202415 | 1 | None | -6 | 7 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 | 10.1021/jm0491391 | |||
| 6761 | 74574 | 19 | None | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| CHEMBL1909072 | 74574 | 19 | None | -1 | 18 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | nan | |||
| 24897950 | 63126 | 0 | None | -3 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630940 | 63126 | 0 | None | -3 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 2.9 | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 2419 | 7482 | 28 | None | -3 | 11 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| 9 | 7482 | 28 | None | -3 | 11 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL13647 | 7482 | 28 | None | -3 | 11 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/s0960-894x(01)00159-7 | |||
| 10706270 | 127600 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | |||
| CHEMBL1237159 | 127600 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | |||
| CHEMBL355784 | 127600 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 256 | 2 | 1 | 2 | 3.4 | CC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | |||
| 10527469 | 163044 | 3 | None | -2 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
| CHEMBL40650 | 163044 | 3 | None | -2 | 16 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 448 | 4 | 1 | 7 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 | 10.1021/jm970364a | |||
| 49781234 | 24701 | 0 | None | -3 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259231 | 24701 | 0 | None | -3 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| 10632119 | 65891 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | |||
| CHEMBL169804 | 65891 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | |||
| CHEMBL1744287 | 65891 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | |||
| 11857793 | 92425 | 0 | None | 6 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228445 | 92425 | 0 | None | 6 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| 49782792 | 24683 | 0 | None | -2 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259174 | 24683 | 0 | None | -2 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 44431560 | 152356 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391530 | 152356 | 0 | None | 2 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| 90645599 | 119209 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 668 | 13 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298017 | 119209 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 668 | 13 | 3 | 9 | 4.2 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCC(=O)NCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 49781450 | 24629 | 0 | None | -5 | 4 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259023 | 24629 | 0 | None | -5 | 4 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 2 | 0 | 4 | 4.7 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 | 10.1021/jm100652h | |||
| 49781232 | 24696 | 0 | None | -6 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259216 | 24696 | 0 | None | -6 | 5 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| 10644505 | 107541 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL292881 | 107541 | 0 | None | 1 | 3 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990567u | |||
| 155532835 | 183233 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4467585 | 183233 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4596417 | 183233 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.4 | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 10767626 | 162102 | 0 | None | 2 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40310 | 162102 | 0 | None | 2 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 461 | 4 | 1 | 6 | 3.9 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc(C)cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2011.03.054 | |||
| 10928520 | 212373 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 453 | 7 | 1 | 7 | 3.3 | COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL81486 | 212373 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 453 | 7 | 1 | 7 | 3.3 | COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 10625617 | 168475 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(OC)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL41344 | 168475 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 477 | 5 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(OC)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 44247584 | 146699 | 9 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799553 | 146699 | 9 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| 145947545 | 174473 | 0 | None | 199 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4208816 | 174473 | 0 | None | 199 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4302269 | 174473 | 0 | None | 199 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 341 | 4 | 2 | 4 | 3.1 | CSc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1016/j.ejmech.2017.07.071 | |||
| 9920786 | 66205 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2sc(Cc3c[nH]cn3)cc2c1 | 10.1021/jm0003891 | |||
| CHEMBL1203851 | 66205 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2sc(Cc3c[nH]cn3)cc2c1 | 10.1021/jm0003891 | |||
| CHEMBL171100 | 66205 | 2 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 214 | 2 | 1 | 2 | 3.2 | c1ccc2sc(Cc3c[nH]cn3)cc2c1 | 10.1021/jm0003891 | |||
| 10552656 | 168091 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | |||
| CHEMBL41234 | 168091 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | |||
| 10743310 | 176011 | 0 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 2.4 | COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | |||
| CHEMBL441032 | 176011 | 0 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 2.4 | COc1cnc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2n1 | 10.1021/jm990567u | |||
| 11200086 | 203203 | 0 | None | 1 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 388 | 4 | 0 | 3 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56292 | 203203 | 0 | None | 1 | 4 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 388 | 4 | 0 | 3 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 10717073 | 209404 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1 | 10.1021/jm000541z | |||
| CHEMBL61225 | 209404 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1 | 10.1021/jm000541z | |||
| 10621309 | 209554 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL62110 | 209554 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 25131876 | 92967 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL2312227 | 92967 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | |||
| 25181488 | 194161 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | |||
| CHEMBL493486 | 194161 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | |||
| 25131876 | 92967 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL2312227 | 92967 | 0 | None | -1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 10740866 | 108872 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL302203 | 108872 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 5 | 1 | 6 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 90645595 | 119264 | 0 | None | 4 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 11 | 2 | 8 | 5.1 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298748 | 119264 | 0 | None | 4 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 611 | 11 | 2 | 8 | 5.1 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 3157 | 8252 | 71 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| 7170 | 8252 | 71 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| 954 | 8252 | 71 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| DB00590 | 8252 | 71 | None | -1 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm00018a001 | |||
| 499 | 10849 | 18 | None | -7 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 5685 | 10849 | 18 | None | -7 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| CHEMBL25554 | 10849 | 18 | None | -7 | 14 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm00018a001 | |||
| 10503057 | 109398 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL304215 | 109398 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.3 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 16041629 | 102221 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257097 | 102221 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10946567 | 23241 | 0 | None | 12 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| CHEMBL123448 | 23241 | 0 | None | 12 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 265 | 1 | 0 | 2 | 4.1 | CCc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| 4418 | 40996 | 85 | None | 1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | |||
| CHEMBL142635 | 40996 | 85 | None | 1 | 7 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2018.01.068 | |||
| 14468881 | 183062 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4462600 | 183062 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595111 | 183062 | 0 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 347 | 10 | 1 | 3 | 4.5 | c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 52948823 | 23829 | 0 | None | 2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 13 | 1 | 5 | 4.9 | COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254659 | 23829 | 0 | None | 2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 421 | 13 | 1 | 5 | 4.9 | COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 9822942 | 204716 | 0 | None | 35 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.7 | CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | |||
| CHEMBL57317 | 204716 | 0 | None | 35 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.7 | CCC1(C)CC(=O)N(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | |||
| 9865801 | 101499 | 10 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1021/jm960697s | |||
| CHEMBL25300 | 101499 | 10 | None | -3 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 401 | 8 | 2 | 5 | 5.0 | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C | 10.1021/jm960697s | |||
| 10071710 | 90907 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL220781 | 90907 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10071710 | 90907 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL220781 | 90907 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 436 | 5 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 11638677 | 91364 | 0 | None | -50 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL2153423 | 91364 | 0 | None | -50 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL2220978 | 91364 | 0 | None | -50 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 5 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm011066n | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm021078o | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm9810654 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2010.05.023 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2019.02.056 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.bmcl.2010.01.030 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm800461k | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm200421e | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm301525w | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1016/j.ejmech.2016.09.050 | |||
| 9845181 | 214940 | 3 | None | 1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0491391 | |||
| CHEMBL98241 | 214940 | 3 | None | 1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0491391 | |||
| 9845181 | 214940 | 3 | None | 1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL98241 | 214940 | 3 | None | 1 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1016/s0960-894x(01)00159-7 | |||
| 10506361 | 164484 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 3.5 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40819 | 164484 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 492 | 5 | 1 | 8 | 3.5 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccc([N+](=O)[O-])cc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 134147055 | 156353 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL3946843 | 156353 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1cccc(CCN2CCN(c3ccccc3OC(C)C)CC2)c1 | 10.1016/j.ejmech.2016.06.052 | |||
| 11800077 | 107288 | 0 | None | -2 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(Cl)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL291154 | 107288 | 0 | None | -2 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(Cl)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 11474937 | 203953 | 0 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 5 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56804 | 203953 | 0 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 5 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1 | 10.1021/jm030944+ | |||
| 134139869 | 152978 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 384 | 8 | 0 | 5 | 3.9 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1OC | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL3920110 | 152978 | 0 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 384 | 8 | 0 | 5 | 3.9 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1OC | 10.1016/j.ejmech.2016.06.052 | |||
| 78815633 | 154294 | 2 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL3930616 | 154294 | 2 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| 10678161 | 107592 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 455 | 5 | 1 | 8 | 2.2 | COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | |||
| CHEMBL293236 | 107592 | 0 | None | 1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 455 | 5 | 1 | 8 | 2.2 | COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 | 10.1021/jm000541z | |||
| 11486511 | 108361 | 0 | None | -4 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL298595 | 108361 | 0 | None | -4 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 4209 | 9937 | 75 | None | -2 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 4893 | 9937 | 75 | None | -2 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 503 | 9937 | 75 | None | -2 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 5385 | 9937 | 75 | None | -2 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| CHEMBL2 | 9937 | 75 | None | -2 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| DB00457 | 9937 | 75 | None | -2 | 33 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1021/jm960510x | |||
| 46934793 | 23401 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1241557 | 23401 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 25181488 | 194161 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL493486 | 194161 | 0 | None | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 44431553 | 94359 | 0 | None | 10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233592 | 94359 | 0 | None | 10 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10456471 | 107309 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | |||
| CHEMBL291303 | 107309 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 451 | 6 | 1 | 7 | 2.4 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | |||
| 9845181 | 214940 | 3 | None | -1 | 13 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm020938y | |||
| CHEMBL98241 | 214940 | 3 | None | -1 | 13 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm020938y | |||
| 49781236 | 24615 | 0 | None | -7 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1258987 | 24615 | 0 | None | -7 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 | 10.1021/jm100652h | |||
| 10648335 | 106938 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL287928 | 106938 | 0 | None | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 478 | 5 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(OC)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 9822705 | 107464 | 0 | None | 11 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 407 | 4 | 0 | 3 | 4.4 | O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | |||
| CHEMBL292366 | 107464 | 0 | None | 11 | 4 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 407 | 4 | 0 | 3 | 4.4 | O=C1CC2(C=CN1CCN1CCN(c3cc(Cl)ccc3Cl)CC1)CCCC2 | 10.1021/jm030944+ | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm991065j | |||
| 10606661 | 107716 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 441 | 5 | 1 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL294027 | 107716 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 441 | 5 | 1 | 7 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 46934637 | 23443 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242542 | 23443 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 44431611 | 94260 | 0 | None | 7 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233410 | 94260 | 0 | None | 7 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10624165 | 107338 | 0 | None | -3 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL291528 | 107338 | 0 | None | -3 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 9845172 | 175888 | 0 | None | 25 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 422 | 4 | 0 | 3 | 4.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL440118 | 175888 | 0 | None | 25 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 422 | 4 | 0 | 3 | 4.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 145946536 | 174363 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4213029 | 174363 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4300721 | 174363 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| 16041264 | 102218 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257077 | 102218 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 44431192 | 99334 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243228 | 99334 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 5 | 0 | 6 | 3.6 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccnc4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 49782791 | 24682 | 0 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259173 | 24682 | 0 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.3 | CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 10095044 | 109081 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 445 | 6 | 0 | 8 | 3.2 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL303464 | 109081 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 445 | 6 | 0 | 8 | 3.2 | COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | |||
| 148842 | 10718 | 27 | None | -8 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | |||
| 496 | 10718 | 27 | None | -8 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | |||
| CHEMBL278865 | 10718 | 27 | None | -8 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm030825u | |||
| 44428849 | 150407 | 0 | None | 2 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 436 | 4 | 2 | 7 | 2.8 | COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL389978 | 150407 | 0 | None | 2 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 436 | 4 | 2 | 7 | 2.8 | COc1cc2nc(N3CCN(C(=O)c4ccc[nH]4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 71659980 | 152671 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 6 | 0 | 5 | 3.2 | CCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL3917716 | 152671 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 6 | 0 | 5 | 3.2 | CCOc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| 44420408 | 148536 | 0 | None | 5 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 2.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL386005 | 148536 | 0 | None | 5 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 5 | 2 | 6 | 2.7 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 76330229 | 113012 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261605 | 113012 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138857 | 113012 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 44428845 | 149140 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL388884 | 149140 | 0 | None | -5 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 515 | 4 | 1 | 8 | 3.9 | COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 10767981 | 203041 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 11 | 1 | 9 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| CHEMBL561851 | 203041 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 509 | 11 | 1 | 9 | 3.5 | COc1cc2nc(N(C)CCCCCCN(C)C(=O)C3COc4ccccc4O3)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| CHEMBL4753450 | 220845 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@@H](c1cccc(CN)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5210307 | |||||
| CHEMBL4802854 | 220845 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@@H](c1cccc(CN)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5210307 | |||||
| 102 | 10899 | 48 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 3659 | 10899 | 48 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 8969 | 10899 | 48 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| CHEMBL15245 | 10899 | 48 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| DB01392 | 10899 | 48 | None | -363 | 49 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0491391 | |||
| 11857864 | 92459 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228659 | 92459 | 0 | None | 2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857792 | 176148 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL442059 | 176148 | 0 | None | 3 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 11384983 | 204081 | 0 | None | -1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56869 | 204081 | 0 | None | -1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.3 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 | 10.1021/jm030944+ | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| 44470113 | 146656 | 5 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799292 | 146656 | 5 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| 16041092 | 102155 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256804 | 102155 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 126225 | 101751 | 5 | None | 1 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm0307741 | |||
| CHEMBL25467 | 101751 | 5 | None | 1 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm0307741 | |||
| 9845181 | 214940 | 3 | None | 1 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0307741 | |||
| CHEMBL98241 | 214940 | 3 | None | 1 | 13 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.3 | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm0307741 | |||
| 126225 | 101751 | 5 | None | 1 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| CHEMBL25467 | 101751 | 5 | None | 1 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm00019a001 | |||
| 90645601 | 119211 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 10 | 2 | 9 | 3.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298019 | 119211 | 0 | None | -1 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 564 | 10 | 2 | 9 | 3.0 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)C)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 3157 | 8252 | 71 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 7170 | 8252 | 71 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 954 | 8252 | 71 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| DB00590 | 8252 | 71 | None | -1 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | nan | |||
| 10643502 | 107726 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 1.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL294098 | 107726 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 380 | 4 | 2 | 5 | 1.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 11857638 | 150588 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL390129 | 150588 | 0 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 11487449 | 202268 | 0 | None | 1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 5 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL55319 | 202268 | 0 | None | 1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 5 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 155532148 | 178480 | 0 | None | 1 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4466677 | 178480 | 0 | None | 1 | 7 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| 134149596 | 155244 | 0 | None | -4 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 368 | 6 | 0 | 5 | 3.6 | CC(C)Oc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL3938038 | 155244 | 0 | None | -4 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 368 | 6 | 0 | 5 | 3.6 | CC(C)Oc1ccccc1N1CCN(CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| 10691912 | 174799 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL432147 | 174799 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 9931327 | 76585 | 1 | None | 190 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 2.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1 | 10.1021/jm0491391 | |||
| CHEMBL193620 | 76585 | 1 | None | 190 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 2.9 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)c(F)cc2F)CC1 | 10.1021/jm0491391 | |||
| 49781235 | 24702 | 0 | None | -7 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259232 | 24702 | 0 | None | -7 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 390 | 2 | 0 | 5 | 4.1 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 | 10.1021/jm100652h | |||
| 71817386 | 109363 | 0 | None | -3 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419769 | 109363 | 0 | None | -3 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL3040851 | 109363 | 0 | None | -3 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 2726 | 7706 | 68 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 621 | 7706 | 68 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 83 | 7706 | 68 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL71 | 7706 | 68 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| DB00477 | 7706 | 68 | None | 1 | 72 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | |||
| 10620533 | 208643 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL60722 | 208643 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 4151 | 10379 | 89 | None | -33 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| 493 | 10379 | 89 | None | -33 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| 5312125 | 10379 | 89 | None | -33 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| CHEMBL24778 | 10379 | 89 | None | -33 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| DB06207 | 10379 | 89 | None | -33 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 10.1021/jm960697s | |||
| 11705133 | 79105 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC | 10.1021/jm0580398 | |||
| CHEMBL198431 | 79105 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 453 | 14 | 1 | 7 | 4.3 | COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC | 10.1021/jm0580398 | |||
| 44298664 | 204065 | 0 | None | -31 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 2.8 | O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL56863 | 204065 | 0 | None | -31 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 2.8 | O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 10674055 | 210995 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.9 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL70892 | 210995 | 0 | None | -50 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.9 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 489 | 6933 | 28 | None | -34 | 12 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | |||
| 5640 | 6933 | 28 | None | -34 | 12 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | |||
| CHEMBL420060 | 6933 | 28 | None | -34 | 12 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm960697s | |||
| 25025052 | 146559 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 286 | 3 | 2 | 4 | 1.6 | N#Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3798655 | 146559 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 286 | 3 | 2 | 4 | 1.6 | N#Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 155533100 | 183123 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4468507 | 183123 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595564 | 183123 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 377 | 11 | 1 | 4 | 4.5 | COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 44298770 | 108388 | 0 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 2.5 | O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL298838 | 108388 | 0 | None | -10 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 2.5 | O=c1[nH]cc(Cl)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 9929936 | 174691 | 0 | None | 9 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| CHEMBL431354 | 174691 | 0 | None | 9 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(C)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| 6603808 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214986 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL36622 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL3740374 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 6603808 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL214986 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL36622 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL3740374 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 6603808 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL214986 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL36622 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| CHEMBL3740374 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm301525w | |||
| 6603808 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL214986 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL36622 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| CHEMBL3740374 | 134300 | 3 | None | 1 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1039/C4MD00484A | |||
| 118716714 | 121786 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 501 | 6 | 0 | 7 | 2.7 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342867 | 121786 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 501 | 6 | 0 | 7 | 2.7 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 118716707 | 121779 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342860 | 121779 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 487 | 10406 | 21 | None | -426 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 60602 | 10406 | 21 | None | -426 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| CHEMBL405355 | 10406 | 21 | None | -426 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| DB09239 | 10406 | 21 | None | -426 | 12 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 463 | 8187 | 22 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 6918097 | 8187 | 22 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 837 | 8187 | 22 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| CHEMBL2051956 | 8187 | 22 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| DB14068 | 8187 | 22 | None | -50 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 497 | 10138 | 8 | None | -61 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | |||
| 9872515 | 10138 | 8 | None | -61 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | |||
| CHEMBL24777 | 10138 | 8 | None | -61 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1021/jm960697s | |||
| 134138438 | 154121 | 0 | None | -33 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 378 | 4 | 0 | 5 | 4.3 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3929328 | 154121 | 0 | None | -33 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 378 | 4 | 0 | 5 | 4.3 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| 10393665 | 40696 | 0 | None | -151 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL142383 | 40696 | 0 | None | -151 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 11338630 | 16429 | 0 | None | 2 | 3 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 403 | 4 | 2 | 3 | 4.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)c1ccc2ccccc2c1 | 10.1021/jm030551a | |||
| CHEMBL112814 | 16429 | 0 | None | 2 | 3 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 403 | 4 | 2 | 3 | 4.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)c1ccc2ccccc2c1 | 10.1021/jm030551a | |||
| 44298762 | 107405 | 0 | None | -15 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 473 | 8 | 1 | 7 | 1.9 | CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL291951 | 107405 | 0 | None | -15 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 473 | 8 | 1 | 7 | 1.9 | CN(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 9903797 | 16211 | 5 | None | -18 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | |||
| CHEMBL111734 | 16211 | 5 | None | -18 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1007/s00044-004-0020-z | |||
| 153287553 | 177883 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
| CHEMBL4457754 | 177883 | 0 | None | -158 | 6 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | |||
| 10236758 | 122550 | 5 | None | -1023 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL3354065 | 122550 | 5 | None | -1023 | 13 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 10703393 | 127035 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 204 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C1(c2c[nH]cn2)CC1 | 10.1021/jm0003891 | |||
| CHEMBL1744265 | 127035 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 204 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C1(c2c[nH]cn2)CC1 | 10.1021/jm0003891 | |||
| CHEMBL352374 | 127035 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 204 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C1(c2c[nH]cn2)CC1 | 10.1021/jm0003891 | |||
| 11736917 | 16049 | 2 | None | -1 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 254 | 4 | 2 | 3 | 1.5 | CCS(=O)(=O)Nc1cccc(C2CCNC2)c1 | 10.1021/jm030551a | |||
| CHEMBL110859 | 16049 | 2 | None | -1 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 254 | 4 | 2 | 3 | 1.5 | CCS(=O)(=O)Nc1cccc(C2CCNC2)c1 | 10.1021/jm030551a | |||
| 9903797 | 16211 | 5 | None | -18 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1021/jm030551a | |||
| CHEMBL111734 | 16211 | 5 | None | -18 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 2.1 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C | 10.1021/jm030551a | |||
| 44267912 | 23655 | 0 | None | -102 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 1.3 | COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12501 | 23655 | 0 | None | -102 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 1.3 | COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 237 | 211644 | 48 | None | -1 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL546257 | 211644 | 48 | None | -1 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL554190 | 211644 | 48 | None | -1 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| CHEMBL7568 | 211644 | 48 | None | -1 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | |||
| 19085836 | 212444 | 0 | None | -6 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL82056 | 212444 | 0 | None | -6 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12 | 10.1016/s0960-894x(98)00446-6 | |||
| 145951457 | 169703 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4174168 | 169703 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 44568917 | 194134 | 0 | None | -13 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | |||
| CHEMBL493283 | 194134 | 0 | None | -13 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | |||
| 6604803 | 123296 | 2 | None | -457 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | |||
| CHEMBL336161 | 123296 | 2 | None | -457 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 | 10.1021/jm960354u | |||
| 145962817 | 168298 | 0 | None | -34 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4128311 | 168298 | 0 | None | -34 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 3 | 1 | 7 | 2.2 | COc1cc2nc(N3CCN(C(C)=O)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 9809007 | 179343 | 8 | None | -407 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL448620 | 179343 | 8 | None | -407 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| 9796525 | 16179 | 0 | None | -7 | 3 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1021/jm030551a | |||
| CHEMBL111584 | 16179 | 0 | None | -7 | 3 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1021/jm030551a | |||
| 10047430 | 111538 | 0 | None | -117 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL310768 | 111538 | 0 | None | -117 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| 11098175 | 210949 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| CHEMBL70691 | 210949 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 251 | 5 | 2 | 5 | 1.8 | COc1ccc(SC)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| 76326541 | 92116 | 0 | None | -60 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261355 | 92116 | 0 | None | -60 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9926529 | 16161 | 2 | None | -19 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111496 | 16161 | 2 | None | -19 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 44267884 | 22339 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 8 | 0 | 6 | 2.2 | CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12202 | 22339 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 8 | 0 | 6 | 2.2 | CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 44431599 | 94795 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234423 | 94795 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | |||
| 17753379 | 94838 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234607 | 94838 | 0 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 2142 | 9870 | 58 | None | -5 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 4920903 | 9870 | 58 | None | -5 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 502 | 9870 | 58 | None | -5 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 5775 | 9870 | 58 | None | -5 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| CHEMBL597 | 9870 | 58 | None | -5 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| DB00692 | 9870 | 58 | None | -5 | 37 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | nan | |||
| 59151671 | 146621 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799115 | 146621 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl | 10.1021/acs.jmedchem.5b01528 | |||
| 44300170 | 175039 | 0 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL433832 | 175039 | 0 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 11108001 | 17644 | 2 | None | 3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL117248 | 17644 | 2 | None | 3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL540542 | 17644 | 2 | None | 3 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 221 | 4 | 2 | 4 | 1.8 | CSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 9976756 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | |||
| CHEMBL1083181 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | |||
| CHEMBL37883 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm021078o | |||
| 9976756 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL1083181 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL37883 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 9976756 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1083181 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL37883 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | |||
| 9976756 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| CHEMBL1083181 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| CHEMBL37883 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| 9976756 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL1083181 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL37883 | 13379 | 0 | None | -3 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| 44289525 | 172774 | 0 | None | -12 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| CHEMBL42539 | 172774 | 0 | None | -12 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| 10916771 | 111991 | 0 | None | -53 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL311479 | 111991 | 0 | None | -53 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 419 | 7 | 1 | 7 | 2.7 | COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 11144555 | 212017 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 433 | 8 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL78785 | 212017 | 0 | None | -4 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 433 | 8 | 1 | 7 | 3.1 | COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 10743042 | 194931 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 5 | 1 | 8 | 3.1 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O | 10.1021/jm981006q | |||
| CHEMBL49851 | 194931 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 5 | 1 | 8 | 3.1 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O | 10.1021/jm981006q | |||
| 1443 | 8809 | 34 | None | -16 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 33625 | 8809 | 34 | None | -16 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 501 | 8809 | 34 | None | -16 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| CHEMBL279516 | 8809 | 34 | None | -16 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| DB08950 | 8809 | 34 | None | -16 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 10841070 | 44453 | 0 | None | -380 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145746 | 44453 | 0 | None | -380 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10817365 | 43487 | 0 | None | -1819 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL144933 | 43487 | 0 | None | -1819 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 44299764 | 107505 | 0 | None | 4 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 426 | 8 | 0 | 4 | 4.4 | CN(CCCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL292672 | 107505 | 0 | None | 4 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 426 | 8 | 0 | 4 | 4.4 | CN(CCCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 11453476 | 174692 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 439 | 8 | 0 | 4 | 4.5 | CN(CCCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL431357 | 174692 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 439 | 8 | 0 | 4 | 4.5 | CN(CCCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 10507411 | 40956 | 0 | None | -1000 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 577 | 9 | 0 | 5 | 7.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL142606 | 40956 | 0 | None | -1000 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 577 | 9 | 0 | 5 | 7.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3C(F)(F)F)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10506484 | 43572 | 0 | None | -1096 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 534 | 9 | 0 | 6 | 5.9 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145001 | 43572 | 0 | None | -1096 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 534 | 9 | 0 | 6 | 5.9 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10578548 | 43786 | 0 | None | -912 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145178 | 43786 | 0 | None | -912 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 118718431 | 122132 | 0 | None | -11 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL3349545 | 122132 | 0 | None | -11 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| 44295044 | 108357 | 0 | None | -190 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 535 | 6 | 2 | 6 | 3.5 | N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL298579 | 108357 | 0 | None | -190 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 535 | 6 | 2 | 6 | 3.5 | N#CC1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 10841851 | 41089 | 0 | None | -851 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 569 | 9 | 4 | 6 | 2.2 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL142718 | 41089 | 0 | None | -851 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 569 | 9 | 4 | 6 | 2.2 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 44288815 | 108231 | 0 | None | -147 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)C(C)C)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL297667 | 108231 | 0 | None | -147 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 431 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)C(C)C)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 9982585 | 108293 | 0 | None | -851 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 479 | 8 | 1 | 3 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL298058 | 108293 | 0 | None | -851 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 479 | 8 | 1 | 3 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41844 | 170011 | 0 | None | -309 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 590 | 10 | 2 | 9 | 4.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44460522 | 212166 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 460 | 7 | 0 | 7 | 3.6 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL79990 | 212166 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 460 | 7 | 0 | 7 | 3.6 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| 44431557 | 153450 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL392377 | 153450 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 9850782 | 110376 | 0 | None | -72 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL308671 | 110376 | 0 | None | -72 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 127036953 | 144293 | 0 | None | -112 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3754166 | 144293 | 0 | None | -112 | 22 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 7 | 1 | 1 | 4.1 | C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 10651080 | 112719 | 0 | None | -131 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL312871 | 112719 | 0 | None | -131 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 592 | 9 | 3 | 6 | 4.7 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 10531532 | 213873 | 0 | None | -131 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL91956 | 213873 | 0 | None | -131 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 594 | 9 | 2 | 7 | 6.0 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 11164948 | 44517 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 3.1 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| CHEMBL145793 | 44517 | 0 | None | -3 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 3.1 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| 9814617 | 16106 | 0 | None | -2 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.7 | CS(=O)(=O)Nc1cccc2c1OCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111151 | 16106 | 0 | None | -2 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.7 | CS(=O)(=O)Nc1cccc2c1OCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 9847419 | 214973 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 3.9 | Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL98430 | 214973 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 5 | 2 | 5 | 3.9 | Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | |||
| 10020855 | 85598 | 0 | None | -588 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.9 | COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 | 10.1021/jm010866v | |||
| CHEMBL2112778 | 85598 | 0 | None | -588 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.9 | COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1 | 10.1021/jm010866v | |||
| 17753379 | 94578 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233816 | 94578 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 521 | 8 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431616 | 94852 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234650 | 94852 | 0 | None | -3 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11857863 | 92453 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228608 | 92453 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 145947141 | 174405 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 371 | 5 | 1 | 4 | 3.0 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2cc(F)ccc21 | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4218841 | 174405 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 371 | 5 | 1 | 4 | 3.0 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2cc(F)ccc21 | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4301452 | 174405 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 371 | 5 | 1 | 4 | 3.0 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2cc(F)ccc21 | 10.1016/j.ejmech.2017.07.071 | |||
| 18738387 | 170277 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL420184 | 170277 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 399 | 6 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 10699164 | 43802 | 0 | None | -151 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145190 | 43802 | 0 | None | -151 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10776978 | 66241 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 248 | 4 | 1 | 2 | 4.3 | CC(C)c1cc(Cc2c[nH]cn2)c(C(C)C)s1 | 10.1021/jm0003891 | |||
| CHEMBL171323 | 66241 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 248 | 4 | 1 | 2 | 4.3 | CC(C)c1cc(Cc2c[nH]cn2)c(C(C)C)s1 | 10.1021/jm0003891 | |||
| CHEMBL1744274 | 66241 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 248 | 4 | 1 | 2 | 4.3 | CC(C)c1cc(Cc2c[nH]cn2)c(C(C)C)s1 | 10.1021/jm0003891 | |||
| 118716713 | 121785 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 487 | 6 | 0 | 7 | 2.4 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342866 | 121785 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 487 | 6 | 0 | 7 | 2.4 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 11046644 | 37477 | 0 | None | -33 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 361 | 6 | 0 | 4 | 4.0 | COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 | 10.1021/jm010866v | |||
| CHEMBL139505 | 37477 | 0 | None | -33 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 361 | 6 | 0 | 4 | 4.0 | COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 | 10.1021/jm010866v | |||
| 3567002 | 10160 | 9 | None | -58 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | |||
| 7381 | 10160 | 9 | None | -58 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL56331 | 10160 | 9 | None | -58 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10.1016/s0960-894x(03)00305-6 | |||
| 44358574 | 126147 | 0 | None | -54 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.0 | COc1cccc2c1CCCC2CCCNCCOc1ccccn1 | 10.1021/jm010866v | |||
| CHEMBL344432 | 126147 | 0 | None | -54 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 340 | 9 | 1 | 4 | 4.0 | COc1cccc2c1CCCC2CCCNCCOc1ccccn1 | 10.1021/jm010866v | |||
| 11430182 | 205457 | 0 | None | -3 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57999 | 205457 | 0 | None | -3 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2Cl)CC1 | 10.1021/jm030944+ | |||
| 71817549 | 109357 | 0 | None | -15 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3040803 | 109357 | 0 | None | -15 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3216590 | 109357 | 0 | None | -15 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| 10721171 | 44484 | 0 | None | -398 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 539 | 10 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145770 | 44484 | 0 | None | -398 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 539 | 10 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10815240 | 213631 | 0 | None | -851 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL90606 | 213631 | 0 | None | -851 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 | 10.1021/jm990612y | |||
| 10579632 | 42359 | 0 | None | -23 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 611 | 9 | 2 | 7 | 5.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL143940 | 42359 | 0 | None | -23 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 611 | 9 | 2 | 7 | 5.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 10627329 | 44217 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 4.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145525 | 44217 | 0 | None | -24 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 4.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10508330 | 125572 | 0 | None | -602 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 638 | 8 | 2 | 5 | 5.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL342126 | 125572 | 0 | None | -602 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 638 | 8 | 2 | 5 | 5.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10792536 | 213555 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 540 | 7 | 3 | 3 | 4.7 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| CHEMBL90184 | 213555 | 0 | None | -63 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 540 | 7 | 3 | 3 | 4.7 | O=C1NC(C(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| 11747739 | 20007 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1191324 | 20007 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL542402 | 20007 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 237 | 4 | 2 | 4 | 0.8 | C[S+]([O-])c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 9830741 | 214635 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| CHEMBL96467 | 214635 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| 9830741 | 214635 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| CHEMBL96467 | 214635 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| 134143085 | 152628 | 0 | None | -79 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 6 | 1 | 4 | 4.2 | c1ccc(OCCNCC2CSC3(CCCCC3)S2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3917316 | 152628 | 0 | None | -79 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 6 | 1 | 4 | 4.2 | c1ccc(OCCNCC2CSC3(CCCCC3)S2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| 10198248 | 194228 | 40 | None | -56 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL49395 | 194228 | 40 | None | -56 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 213 | 1 | 2 | 5 | 1.0 | c1cnc2cc(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| 10626910 | 210563 | 0 | None | -537 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| CHEMBL68203 | 210563 | 0 | None | -537 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| 10769331 | 118310 | 0 | None | -239 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | |||
| CHEMBL327931 | 118310 | 0 | None | -239 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 5.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(Cl)c([N+](=O)[O-])c1 | 10.1021/jm980077m | |||
| 155531279 | 178412 | 0 | None | -6 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@H]1OCCO[C@H]1c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4465749 | 178412 | 0 | None | -6 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@H]1OCCO[C@H]1c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | |||
| 44568818 | 194484 | 0 | None | -3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1021/jm800461k | |||
| CHEMBL495289 | 194484 | 0 | None | -3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 | 10.1021/jm800461k | |||
| 44298644 | 169906 | 0 | None | -31 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 7 | 1 | 6 | 2.6 | Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL417758 | 169906 | 0 | None | -31 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 7 | 1 | 6 | 2.6 | Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 44298780 | 203327 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL56375 | 203327 | 0 | None | -25 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 7 | 3 | 7 | 0.9 | C[C@]1(O)C(=O)N(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)C(=O)N[C@H]1O | 10.1016/s0960-894x(03)00305-6 | |||
| 11325675 | 164333 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 4 | 0 | 4 | 2.0 | O=C1C=CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL408034 | 164333 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 353 | 4 | 0 | 4 | 2.0 | O=C1C=CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 9944409 | 14385 | 0 | None | -34 | 5 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL108804 | 14385 | 0 | None | -34 | 5 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9944409 | 14385 | 0 | None | -34 | 5 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL108804 | 14385 | 0 | None | -34 | 5 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 3 | 3 | 4 | 2.0 | CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 123981 | 23231 | 22 | None | -69 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | |||
| CHEMBL123349 | 23231 | 22 | None | -69 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | |||
| CHEMBL536803 | 23231 | 22 | None | -69 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 195 | 0 | 0 | 1 | 2.4 | CN1CCc2cccc(Cl)c2CC1 | 10.1021/jm00019a001 | |||
| 126720252 | 171454 | 0 | None | -44 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| CHEMBL4216870 | 171454 | 0 | None | -44 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| 44289344 | 175325 | 0 | None | -10 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 4.8 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL435576 | 175325 | 0 | None | -10 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 4.8 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10415156 | 127916 | 0 | None | -1819 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 550 | 8 | 3 | 5 | 3.8 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL357628 | 127916 | 0 | None | -1819 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 550 | 8 | 3 | 5 | 3.8 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 57469 | 25638 | 125 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | |||
| CHEMBL1282 | 25638 | 125 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | |||
| 136680384 | 214434 | 0 | None | -288 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328799 | 214434 | 0 | None | -288 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95290 | 214434 | 0 | None | -288 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(CC)NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44426404 | 149344 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL389104 | 149344 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| 44308443 | 210732 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL69339 | 210732 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 49781681 | 24658 | 0 | None | -7 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 2 | 0 | 3 | 6.3 | Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 | 10.1021/jm100652h | |||
| CHEMBL1259098 | 24658 | 0 | None | -7 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 2 | 0 | 3 | 6.3 | Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 | 10.1021/jm100652h | |||
| 145963755 | 168813 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4160032 | 168813 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 118716721 | 121793 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342874 | 121793 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)Nc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 52942047 | 23437 | 0 | None | -9 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242444 | 23437 | 0 | None | -9 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 44420412 | 91571 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL223289 | 91571 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccccc43)c2=O)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 127046693 | 146445 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5210307 | |||
| CHEMBL3797887 | 146445 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5210307 | |||
| CHEMBL4762646 | 146445 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5210307 | |||
| 213 | 10625 | 55 | None | -4 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 2717 | 10625 | 55 | None | -4 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 5533 | 10625 | 55 | None | -4 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| CHEMBL621 | 10625 | 55 | None | -4 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| DB00656 | 10625 | 55 | None | -4 | 43 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | nan | |||
| 127046693 | 146445 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3797887 | 146445 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL4762646 | 146445 | 0 | None | 2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| 44308654 | 210363 | 0 | None | 3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL66823 | 210363 | 0 | None | 3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 401 | 6 | 1 | 6 | 3.4 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 9959689 | 108590 | 0 | None | -281 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL300222 | 108590 | 0 | None | -281 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 44295133 | 195507 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.0 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL50490 | 195507 | 0 | None | -14 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 586 | 7 | 2 | 5 | 5.0 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | |||
| 44295170 | 108599 | 0 | None | -20 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL300272 | 108599 | 0 | None | -20 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 44288792 | 107092 | 0 | None | -199 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 8 | 1 | 3 | 5.5 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(Cl)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL289339 | 107092 | 0 | None | -199 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 451 | 8 | 1 | 3 | 5.5 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(Cl)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44289089 | 171364 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.2 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42156 | 171364 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.2 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 5624 | 39467 | 14 | None | -39 | 10 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
| CHEMBL1203324 | 39467 | 14 | None | -39 | 10 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
| CHEMBL141343 | 39467 | 14 | None | -39 | 10 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 520 | 5 | 1 | 8 | 4.2 | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 | nan | |||
| 127036932 | 144126 | 0 | None | -43 | 22 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| CHEMBL3752900 | 144126 | 0 | None | -43 | 22 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 274 | 7 | 1 | 1 | 4.0 | C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12 | 10.1016/j.bmcl.2015.12.053 | |||
| 53328115 | 70157 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 6 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796028 | 70157 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 6 | 0 | 5 | 2.8 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 136 | 10065 | 32 | None | -107 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 223 | 10065 | 32 | None | -107 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 643606 | 10065 | 32 | None | -107 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| CHEMBL10347 | 10065 | 32 | None | -107 | 16 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 9830741 | 214635 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| CHEMBL96467 | 214635 | 1 | None | -660 | 7 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| 1971 | 9641 | 38 | None | -6 | 30 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 2404 | 9641 | 38 | None | -6 | 30 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 4543 | 9641 | 38 | None | -6 | 30 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| CHEMBL445 | 9641 | 38 | None | -6 | 30 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| DB00540 | 9641 | 38 | None | -6 | 30 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | nan | |||
| 124 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| 2032 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| 4636 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| CHEMBL762 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| DB00935 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm000542r | |||
| 4038180 | 6992 | 14 | None | -141 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | |||
| 480 | 6992 | 14 | None | -141 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | |||
| CHEMBL109783 | 6992 | 14 | None | -141 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm960354u | |||
| 71817857 | 98900 | 0 | None | -3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419766 | 98900 | 0 | None | -3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 19085869 | 174904 | 0 | None | -112 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL432947 | 174904 | 0 | None | -112 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | |||
| 44331090 | 215172 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 4.3 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL99614 | 215172 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 464 | 5 | 1 | 5 | 4.3 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3cccc4ccccc34)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | |||
| 10602912 | 109515 | 0 | None | -301 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL304977 | 109515 | 0 | None | -301 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 10674133 | 170199 | 0 | None | -32 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 546 | 9 | 2 | 7 | 2.9 | CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL419624 | 170199 | 0 | None | -32 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 546 | 9 | 2 | 7 | 2.9 | CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 10032383 | 116887 | 0 | None | -812 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136680387 | 116887 | 0 | None | -812 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL323579 | 116887 | 0 | None | -812 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 12134995 | 108919 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 5 | 1 | 5 | 2.6 | COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL302495 | 108919 | 0 | None | 1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 318 | 5 | 1 | 5 | 2.6 | COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 10903226 | 20542 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1195368 | 20542 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL554416 | 20542 | 0 | None | -1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 281 | 6 | 2 | 5 | 1.3 | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 124 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 2032 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 4636 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| CHEMBL762 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| DB00935 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | nan | |||
| 11211017 | 205013 | 0 | None | 1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm0491391 | |||
| CHEMBL57546 | 205013 | 0 | None | 1 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm0491391 | |||
| 44431590 | 94754 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234231 | 94754 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10531 | 8202 | 21 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 121 | 8202 | 21 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 888 | 8202 | 21 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL1732 | 8202 | 21 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00320 | 8202 | 21 | None | -28 | 24 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 10650726 | 40532 | 0 | None | -141 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 571 | 9 | 2 | 7 | 3.8 | CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990202+ | |||
| CHEMBL142251 | 40532 | 0 | None | -141 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 571 | 9 | 2 | 7 | 3.8 | CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990202+ | |||
| 10626726 | 40718 | 0 | None | -70 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL142398 | 40718 | 0 | None | -70 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 46934639 | 23442 | 0 | None | -16 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242541 | 23442 | 0 | None | -16 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 465 | 7 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 52947088 | 23882 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 11 | 1 | 4 | 4.9 | Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1255003 | 23882 | 0 | None | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 11 | 1 | 4 | 4.9 | Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 53327991 | 70175 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796046 | 70175 | 0 | None | 7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 449 | 8 | 0 | 5 | 3.7 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 11994797 | 19086 | 0 | None | -5 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| CHEMBL1185017 | 19086 | 0 | None | -5 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| CHEMBL383938 | 19086 | 0 | None | -5 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| 127040061 | 143704 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3739932 | 143704 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3742489 | 143704 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| 44431620 | 94573 | 0 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233790 | 94573 | 0 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 570 | 7 | 1 | 6 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cnc(Cl)c(Br)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11245925 | 205922 | 0 | None | 8 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 7 | 0 | 4 | 3.4 | CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL58930 | 205922 | 0 | None | 8 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 378 | 7 | 0 | 4 | 3.4 | CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 118716698 | 121770 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342852 | 121770 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 364 | 4 | 0 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 11984570 | 99579 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243694 | 99579 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 5 | 0 | 5 | 4.3 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4cccc(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 10651219 | 40512 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 10 | 3 | 8 | 2.1 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL142236 | 40512 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 600 | 10 | 3 | 8 | 2.1 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 10745766 | 44258 | 0 | None | -199 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 2.7 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| CHEMBL145562 | 44258 | 0 | None | -199 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 578 | 9 | 3 | 8 | 2.7 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| 10438280 | 108375 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990200p | |||
| CHEMBL298713 | 108375 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990200p | |||
| 10722099 | 127872 | 0 | None | -467 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 588 | 8 | 3 | 7 | 2.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL357172 | 127872 | 0 | None | -467 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 588 | 8 | 3 | 7 | 2.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10438280 | 108375 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL298713 | 108375 | 0 | None | -1412 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 21712258 | 176042 | 0 | None | -194 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL44124 | 176042 | 0 | None | -194 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 21712258 | 176042 | 0 | None | -194 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL44124 | 176042 | 0 | None | -194 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 8 | 1 | 3 | 5.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 56946577 | 78287 | 0 | None | -40 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 9 | 1 | 4 | 4.6 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)C1=O | 10.1021/jm200421e | |||
| CHEMBL1946782 | 78287 | 0 | None | -40 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 9 | 1 | 4 | 4.6 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)C1=O | 10.1021/jm200421e | |||
| CHEMBL1962754 | 78287 | 0 | None | -40 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 9 | 1 | 4 | 4.6 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)C1=O | 10.1021/jm200421e | |||
| 10892762 | 85596 | 0 | None | -37 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 326 | 7 | 1 | 4 | 3.8 | COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 | 10.1021/jm010866v | |||
| CHEMBL2112774 | 85596 | 0 | None | -37 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 326 | 7 | 1 | 4 | 3.8 | COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 | 10.1021/jm010866v | |||
| 10660 | 21188 | 58 | None | -38 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | |||
| CHEMBL1200406 | 21188 | 58 | None | -38 | 12 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | |||
| 10811627 | 212329 | 0 | None | -173 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL538529 | 212329 | 0 | None | -173 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL81093 | 212329 | 0 | None | -173 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| 10793963 | 106448 | 0 | None | -23 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| CHEMBL284470 | 106448 | 0 | None | -23 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| CHEMBL4576555 | 220796 | 5 | None | -1 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4n3)cc2)CC1 | 10.6019/CHEMBL4507307 | |||||
| CHEMBL4576555 | 220796 | 5 | None | -1 | 19 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)ccc4n3)cc2)CC1 | 10.6019/CHEMBL4507307 | |||||
| 10416624 | 116427 | 0 | None | -457 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136806219 | 116427 | 0 | None | -457 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL322405 | 116427 | 0 | None | -457 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 634 | 14 | 4 | 10 | 2.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(COCCN)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00484-9 | |||
| 11994673 | 19088 | 0 | None | -7 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL1185036 | 19088 | 0 | None | -7 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL385371 | 19088 | 0 | None | -7 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| 11801861 | 125566 | 0 | None | -181 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 609 | 6 | 2 | 6 | 4.0 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL342064 | 125566 | 0 | None | -181 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 609 | 6 | 2 | 6 | 4.0 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 4038180 | 6992 | 14 | None | -141 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 480 | 6992 | 14 | None | -141 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL109783 | 6992 | 14 | None | -141 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 4038180 | 6992 | 14 | None | -141 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| 480 | 6992 | 14 | None | -141 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| CHEMBL109783 | 6992 | 14 | None | -141 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| 127046693 | 146445 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | |||
| CHEMBL3797887 | 146445 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | |||
| CHEMBL4762646 | 146445 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.6019/CHEMBL5212743 | |||
| 44331174 | 10941 | 0 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 4.9 | O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL100052 | 10941 | 0 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 4.9 | O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2 | 10.1016/s0960-894x(98)00732-x | |||
| 4189 | 213701 | 96 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1559 | 213701 | 96 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL91 | 213701 | 96 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 44431590 | 94755 | 0 | None | -7 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234232 | 94755 | 0 | None | -7 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 555 | 8 | 1 | 6 | 4.9 | COc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431612 | 155643 | 0 | None | 2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL394139 | 155643 | 0 | None | 2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10674564 | 210716 | 0 | None | -83 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 569 | 10 | 1 | 7 | 4.3 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL69264 | 210716 | 0 | None | -83 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 569 | 10 | 1 | 7 | 4.3 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 31101 | 7516 | 40 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 35 | 7516 | 40 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 403 | 7516 | 40 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| CHEMBL493 | 7516 | 40 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| DB01200 | 7516 | 40 | None | -7 | 35 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | nan | |||
| 26987 | 7736 | 33 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 6063 | 7736 | 33 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 671 | 7736 | 33 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| CHEMBL1626 | 7736 | 33 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| DB00283 | 7736 | 33 | None | -39 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | |||
| 58149995 | 146844 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 4 | 2 | 5 | 1.7 | CC(c1cccc(S(C)(=O)=O)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3800449 | 146844 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 4 | 2 | 5 | 1.7 | CC(c1cccc(S(C)(=O)=O)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| 44308466 | 210568 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 7 | 0 | 7 | 3.2 | COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL68241 | 210568 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 429 | 7 | 0 | 7 | 3.2 | COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 | 10.1016/s0960-894x(02)00347-5 | |||
| 16041091 | 101996 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256041 | 101996 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 11071135 | 214787 | 0 | None | -6 | 8 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 6 | 0 | 6 | 4.6 | CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O | 10.1021/jm020938y | |||
| CHEMBL97333 | 214787 | 0 | None | -6 | 8 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 6 | 0 | 6 | 4.6 | CN1CCC(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5ncn(C)n5)cc34)CC2)C1=O | 10.1021/jm020938y | |||
| 71508712 | 93843 | 0 | None | -95 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 389 | 3 | 0 | 5 | 4.4 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL2326175 | 93843 | 0 | None | -95 | 5 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 389 | 3 | 0 | 5 | 4.4 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | |||
| 10699164 | 43802 | 0 | None | -151 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145190 | 43802 | 0 | None | -151 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 552 | 7 | 2 | 7 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C#N)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 11994667 | 18603 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182143 | 18603 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214694 | 18603 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 52944674 | 23894 | 0 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 395 | 11 | 3 | 6 | 3.7 | Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1255085 | 23894 | 0 | None | -3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 395 | 11 | 3 | 6 | 3.7 | Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 9958160 | 205633 | 0 | None | 29 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL58384 | 205633 | 0 | None | 29 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 11304135 | 202438 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 400 | 5 | 0 | 6 | 2.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 | 10.1021/jm030944+ | |||
| CHEMBL55647 | 202438 | 0 | None | -1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 400 | 5 | 0 | 6 | 2.4 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 | 10.1021/jm030944+ | |||
| 50905589 | 63128 | 0 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630942 | 63128 | 0 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 11338016 | 42750 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| CHEMBL144286 | 42750 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 5 | 2 | 6 | 3.0 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| 3894573 | 10166 | 6 | None | -35 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | |||
| 495 | 10166 | 6 | None | -35 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | |||
| CHEMBL88272 | 10166 | 6 | None | -35 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 10.1021/jm960697s | |||
| 53327748 | 70162 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796033 | 70162 | 0 | None | -2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 435 | 8 | 0 | 5 | 3.5 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 155555859 | 183006 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4551941 | 183006 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4594653 | 183006 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 11994551 | 18612 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| CHEMBL1182179 | 18612 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| CHEMBL217143 | 18612 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 369 | 7 | 1 | 5 | 3.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)CCCC2 | 10.1021/jm060358r | |||
| 44298746 | 202411 | 0 | None | -19 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 7 | 1 | 6 | 2.4 | Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL55629 | 202411 | 0 | None | -19 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 452 | 7 | 1 | 6 | 2.4 | Cc1c[nH]c(=O)n(CC2(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 10846051 | 66234 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 208 | 3 | 1 | 3 | 2.5 | COC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | |||
| CHEMBL171278 | 66234 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 208 | 3 | 1 | 3 | 2.5 | COC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | |||
| CHEMBL1744286 | 66234 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 208 | 3 | 1 | 3 | 2.5 | COC(c1c[nH]cn1)c1cscc1C | 10.1021/jm0003891 | |||
| 10721751 | 41404 | 0 | None | -1513 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL142981 | 41404 | 0 | None | -1513 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 191 | 7191 | 98 | None | -23 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 201 | 7191 | 98 | None | -23 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 2170 | 7191 | 98 | None | -23 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| CHEMBL1113 | 7191 | 98 | None | -23 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| DB00543 | 7191 | 98 | None | -23 | 29 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | |||
| 10531022 | 127847 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(F)c1 | 10.1021/jm990200p | |||
| CHEMBL356978 | 127847 | 0 | None | -100 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(F)c1 | 10.1021/jm990200p | |||
| 10721751 | 41404 | 0 | None | -1513 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL142981 | 41404 | 0 | None | -1513 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | COC(=O)C1=C(C)NC(=O)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10720893 | 44142 | 0 | None | -758 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 4.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145459 | 44142 | 0 | None | -758 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 4.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 4038180 | 6992 | 14 | None | -141 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| 480 | 6992 | 14 | None | -141 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| CHEMBL109783 | 6992 | 14 | None | -141 | 8 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 | 10.1021/jm025550h | |||
| 9984150 | 108546 | 0 | None | -891 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL299914 | 108546 | 0 | None | -891 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 519 | 7 | 0 | 4 | 5.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 10097317 | 206863 | 0 | None | -758 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 495 | 8 | 2 | 4 | 4.9 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL59590 | 206863 | 0 | None | -758 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 495 | 8 | 2 | 4 | 4.9 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 44288492 | 170193 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41959 | 170193 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 11801828 | 213323 | 0 | None | -93 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| CHEMBL88628 | 213323 | 0 | None | -93 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 606 | 9 | 3 | 6 | 5.0 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| 53328504 | 70167 | 0 | None | 4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 445 | 5 | 0 | 4 | 4.0 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796038 | 70167 | 0 | None | 4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 445 | 5 | 0 | 4 | 4.0 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 10314056 | 214929 | 1 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 3.1 | O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL98167 | 214929 | 1 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 322 | 3 | 0 | 4 | 3.1 | O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| 12134987 | 211767 | 0 | None | -16 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 2.8 | CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| CHEMBL76643 | 211767 | 0 | None | -16 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 7 | 0 | 6 | 2.8 | CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| 10770317 | 210670 | 0 | None | -123 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 632 | 12 | 2 | 10 | 3.2 | COc1cc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc(OC)c1OC | 10.1021/jm9905918 | |||
| CHEMBL68913 | 210670 | 0 | None | -123 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 632 | 12 | 2 | 10 | 3.2 | COc1cc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc(OC)c1OC | 10.1021/jm9905918 | |||
| 11189412 | 205250 | 0 | None | -18 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57747 | 205250 | 0 | None | -18 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 | 10.1021/jm030944+ | |||
| 25132565 | 194050 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | |||
| CHEMBL492785 | 194050 | 0 | None | -2 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | |||
| 56946579 | 78288 | 0 | None | -44 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946783 | 78288 | 0 | None | -44 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1962755 | 78288 | 0 | None | -44 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 440 | 6 | 0 | 4 | 4.8 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1 | 10.1021/jm200421e | |||
| 19968568 | 92114 | 0 | None | -2 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 1.5 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261353 | 92114 | 0 | None | -2 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 1.5 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 10674544 | 125569 | 0 | None | -346 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)C(=O)Oc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL342111 | 125569 | 0 | None | -346 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)C(=O)Oc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 1443 | 8809 | 34 | None | -16 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| 33625 | 8809 | 34 | None | -16 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| 501 | 8809 | 34 | None | -16 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| CHEMBL279516 | 8809 | 34 | None | -16 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| DB08950 | 8809 | 34 | None | -16 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm960697s | |||
| 9817640 | 106106 | 0 | None | -38 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1021/jm960697s | |||
| CHEMBL282214 | 106106 | 0 | None | -38 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 295 | 6 | 1 | 2 | 3.6 | COc1ccc(CCNCC2CCc3ccccc3C2)cc1 | 10.1021/jm960697s | |||
| 9809007 | 179343 | 8 | None | -407 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| CHEMBL448620 | 179343 | 8 | None | -407 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| 9904117 | 16174 | 3 | None | -15 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111554 | 16174 | 3 | None | -15 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9904117 | 16174 | 3 | None | -15 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111554 | 16174 | 3 | None | -15 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 9944937 | 118115 | 0 | None | -1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 320 | 4 | 2 | 3 | 2.1 | CN(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL326862 | 118115 | 0 | None | -1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 320 | 4 | 2 | 3 | 2.1 | CN(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 18187410 | 111675 | 0 | None | -56 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 6 | 1 | 6 | 3.5 | O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL311247 | 111675 | 0 | None | -56 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 6 | 1 | 6 | 3.5 | O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 44431599 | 94839 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234609 | 94839 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 4.8 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1Cl | 10.1016/j.bmcl.2007.04.008 | |||
| 13151 | 7768 | 0 | None | -100 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | |||
| 9930376 | 7768 | 0 | None | -100 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | |||
| CHEMBL3609360 | 7768 | 0 | None | -100 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.9 | FC1=CC=C2C(=CNC2=C1)C3CCN(CC3)CCCN4CC5=CC=CC=C5CC4 | 10.1016/j.bmcl.2015.07.046 | |||
| 10578715 | 109452 | 0 | None | -144 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 4.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| CHEMBL304591 | 109452 | 0 | None | -144 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 4.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| 1212 | 8443 | 50 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 8443 | 50 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 8443 | 50 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 8443 | 50 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 8443 | 50 | None | -18 | 65 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 2274 | 9947 | 58 | None | -5 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 4917 | 9947 | 58 | None | -5 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 7279 | 9947 | 58 | None | -5 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| CHEMBL728 | 9947 | 58 | None | -5 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| DB00433 | 9947 | 58 | None | -5 | 31 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | |||
| 59151542 | 146813 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 275 | 4 | 2 | 3 | 2.0 | N=c1c(C(N)=O)cc(Cl)cn1CCc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3800219 | 146813 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 275 | 4 | 2 | 3 | 2.0 | N=c1c(C(N)=O)cc(Cl)cn1CCc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| 44300165 | 108628 | 0 | None | -66 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL300540 | 108628 | 0 | None | -66 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 16041265 | 102112 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256597 | 102112 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 49781679 | 24651 | 0 | None | -13 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C | 10.1021/jm100652h | |||
| CHEMBL1259080 | 24651 | 0 | None | -13 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C | 10.1021/jm100652h | |||
| 11234093 | 206469 | 0 | None | -12 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL59315 | 206469 | 0 | None | -12 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1 | 10.1021/jm030944+ | |||
| 46934645 | 23459 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242725 | 23459 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 53327992 | 70179 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796050 | 70179 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 461 | 7 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 10688604 | 31524 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| CHEMBL134428 | 31524 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| 25130876 | 199404 | 0 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/jm800461k | |||
| CHEMBL521665 | 199404 | 0 | None | -4 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/jm800461k | |||
| 9867138 | 202571 | 0 | None | 26 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 425 | 7 | 0 | 4 | 4.1 | CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl | 10.1021/jm030944+ | |||
| CHEMBL55790 | 202571 | 0 | None | 26 | 4 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 425 | 7 | 0 | 4 | 4.1 | CN(CCN1C(=O)CC2(CCCC2)CC1=O)CCN(C)c1cc(Cl)ccc1Cl | 10.1021/jm030944+ | |||
| 44431184 | 99625 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243866 | 99625 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 515 | 5 | 0 | 5 | 5.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccc(F)cc5c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 155565449 | 183110 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4579802 | 183110 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595447 | 183110 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 433 | 11 | 1 | 5 | 4.6 | COc1ccccc1OCCNCC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 3826471 | 104254 | 13 | None | -9 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 5 | 0 | 3 | 3.1 | COc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL27021 | 104254 | 13 | None | -9 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 5 | 0 | 3 | 3.1 | COc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| 10621590 | 91381 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153554 | 91381 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2221148 | 91381 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 44289261 | 171691 | 0 | None | -33 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | |||
| CHEMBL42231 | 171691 | 0 | None | -33 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 417 | 9 | 1 | 4 | 5.1 | COc1cccc(OC)c1OCCNCC1Cc2ccccc2C(c2ccccc2)C1 | 10.1021/jm011066n | |||
| 13442845 | 146389 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 1.9 | N=c1c(C(N)=O)cc(Br)cn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3797500 | 146389 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 1.9 | N=c1c(C(N)=O)cc(Br)cn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| 59151549 | 146536 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 251 | 3 | 2 | 4 | 1.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccco1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3798506 | 146536 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 251 | 3 | 2 | 4 | 1.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccco1 | 10.1021/acs.jmedchem.5b01528 | |||
| 10576661 | 213637 | 0 | None | -1230 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL90652 | 213637 | 0 | None | -1230 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 479 | 7 | 3 | 4 | 3.5 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 9809007 | 179343 | 8 | None | -407 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL448620 | 179343 | 8 | None | -407 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 10768423 | 108104 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL296711 | 108104 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(-c6ccccc6)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10626453 | 128793 | 0 | None | -72 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL359430 | 128793 | 0 | None | -72 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 9 | 0 | 6 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10026936 | 170237 | 0 | None | -204 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41994 | 170237 | 0 | None | -204 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 2771 | 201796 | 74 | None | -9 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| CHEMBL1200781 | 201796 | 74 | None | -9 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| CHEMBL549 | 201796 | 74 | None | -9 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | nan | |||
| 2146 | 9874 | 67 | None | -5 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| 485 | 9874 | 67 | None | -5 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| 6041 | 9874 | 67 | None | -5 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| CHEMBL1215 | 9874 | 67 | None | -5 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| DB00388 | 9874 | 67 | None | -5 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 10.1021/jm960354u | |||
| 11079593 | 210894 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70326 | 210894 | 0 | None | -4 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 1210 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 1213 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 2725 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 33036 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 4411 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 616 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 6976 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 716121 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1201353 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL1554789 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| CHEMBL505 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB01114 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| DB13679 | 7705 | 51 | None | -602 | 21 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | nan | |||
| 43260 | 12254 | 65 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL1076 | 12254 | 65 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1007/s00044-004-0020-z | |||
| 9926529 | 16161 | 2 | None | -19 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111496 | 16161 | 2 | None | -19 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 43260 | 12254 | 65 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | |||
| CHEMBL1076 | 12254 | 65 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm030551a | |||
| 136806217 | 214478 | 0 | None | -120 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328806 | 214478 | 0 | None | -120 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95548 | 214478 | 0 | None | -120 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 576 | 13 | 4 | 8 | 2.7 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 10624993 | 118464 | 0 | None | -660 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 3.9 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL328658 | 118464 | 0 | None | -660 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 3.9 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 10694274 | 205801 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 3.7 | COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | |||
| CHEMBL58585 | 205801 | 0 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 3.7 | COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | |||
| 44568918 | 194135 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | |||
| CHEMBL493284 | 194135 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/jm800461k | |||
| 10508132 | 113794 | 0 | None | -28 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL315392 | 113794 | 0 | None | -28 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 621 | 10 | 2 | 6 | 5.5 | CC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)N(C)C)=C(C)N1 | 10.1021/jm980077m | |||
| 9922027 | 122188 | 0 | None | -1 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL3350265 | 122188 | 0 | None | -1 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 135398737 | 7745 | 93 | None | -2 | 90 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 38 | 7745 | 93 | None | -2 | 90 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 722 | 7745 | 93 | None | -2 | 90 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| CHEMBL42 | 7745 | 93 | None | -2 | 90 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| DB00363 | 7745 | 93 | None | -2 | 90 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | |||
| 70820518 | 174306 | 0 | None | 64 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4213747 | 174306 | 0 | None | 64 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4300105 | 174306 | 0 | None | 64 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 391 | 7 | 1 | 4 | 3.7 | CS(=O)(=O)c1ccc(Cl)cc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| 70820461 | 174526 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.9 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4217445 | 174526 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.9 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4302890 | 174526 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.9 | O=S1(=O)CCC(NCCOc2cc(F)ccc2F)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | |||
| 10934575 | 211265 | 0 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL72441 | 211265 | 0 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 235 | 4 | 2 | 4 | 2.1 | CSc1ccc(C)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 50905588 | 63127 | 0 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| CHEMBL1630941 | 63127 | 0 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.1 | COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O | 10.1016/j.ejmech.2010.09.042 | |||
| 11653915 | 130790 | 0 | None | -4 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | |||
| CHEMBL362954 | 130790 | 0 | None | -4 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.6 | COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2005.07.083 | |||
| 10893672 | 212191 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80132 | 212191 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 6 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 52941056 | 23895 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 363 | 11 | 1 | 4 | 4.3 | c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1255086 | 23895 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 363 | 11 | 1 | 4 | 4.3 | c1ccc(COc2ccccc2OCCNCCOc2ccccc2)cc1 | 10.1016/j.bmc.2010.08.002 | |||
| 463 | 8187 | 22 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 6918097 | 8187 | 22 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 837 | 8187 | 22 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| CHEMBL2051956 | 8187 | 22 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| DB14068 | 8187 | 22 | None | -50 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00010a001 | |||
| 145948012 | 174503 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4209507 | 174503 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4302666 | 174503 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | |||
| 44460423 | 212395 | 0 | None | -11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | O=C1CCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL81661 | 212395 | 0 | None | -11 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 4.3 | O=C1CCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| 44300166 | 203132 | 0 | None | -20 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL56248 | 203132 | 0 | None | -20 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10721564 | 214129 | 0 | None | -223 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | |||
| CHEMBL93623 | 214129 | 0 | None | -223 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 558 | 7 | 1 | 5 | 4.9 | COC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | |||
| 10674791 | 44945 | 0 | None | -38 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm990200p | |||
| CHEMBL146163 | 44945 | 0 | None | -38 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm990200p | |||
| 10578926 | 125744 | 0 | None | -85 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL342347 | 125744 | 0 | None | -85 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10816832 | 128282 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL358313 | 128282 | 0 | None | -489 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 567 | 10 | 1 | 7 | 4.5 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 43260 | 12254 | 65 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | |||
| CHEMBL1076 | 12254 | 65 | None | -1 | 5 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 197 | 4 | 2 | 4 | 0.7 | COc1ccc(OC)c(C(O)CN)c1 | 10.1021/jm025550h | |||
| 44288754 | 177295 | 0 | None | -36 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL44496 | 177295 | 0 | None | -36 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 9 | 1 | 6 | 3.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10579368 | 112781 | 0 | None | -8 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL313251 | 112781 | 0 | None | -8 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.3 | CC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 44312563 | 211699 | 2 | None | -144 | 7 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | |||
| CHEMBL76168 | 211699 | 2 | None | -144 | 7 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | 10.1021/jm960069a | |||
| 132060776 | 169181 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4165863 | 169181 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | |||
| 9844511 | 111373 | 0 | None | -85 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| CHEMBL310471 | 111373 | 0 | None | -85 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| 155552821 | 183462 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4544457 | 183462 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4598345 | 183462 | 0 | None | -7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.2 | c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 134132279 | 151852 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3911497 | 151852 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| 10836245 | 109524 | 0 | None | -58 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL305029 | 109524 | 0 | None | -58 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL552830 | 109524 | 0 | None | -58 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 10415038 | 11211 | 0 | None | -6 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL101610 | 11211 | 0 | None | -6 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 6 | 1 | 7 | 5.3 | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| 9802999 | 202453 | 0 | None | 2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 3.1 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL55655 | 202453 | 0 | None | 2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 3.1 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 71817710 | 109184 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419770 | 109184 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL3039705 | 109184 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 7 | 1 | 6 | 3.3 | COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 71817859 | 109356 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL2419772 | 109356 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL3040801 | 109356 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| 11485631 | 169930 | 0 | None | -2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 2.7 | COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL417939 | 169930 | 0 | None | -2 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 2.7 | COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 9959671 | 39445 | 0 | None | -371 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL141322 | 39445 | 0 | None | -371 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10841070 | 44453 | 0 | None | -380 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145746 | 44453 | 0 | None | -380 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 7.4 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 44294957 | 197823 | 0 | None | -295 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 556 | 7 | 2 | 8 | 2.7 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL51871 | 197823 | 0 | None | -295 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 556 | 7 | 2 | 8 | 2.7 | O=C1OCC2=C1C(c1ccc(F)c(F)c1)N(C(=O)NCCCN1CCN(c3ccccc3[N+](=O)[O-])CC1)C(=O)N2 | 10.1016/s0960-894x(99)00653-8 | |||
| 10722045 | 39589 | 0 | None | -891 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm990200p | |||
| CHEMBL141444 | 39589 | 0 | None | -891 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm990200p | |||
| 10393665 | 40696 | 0 | None | -151 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL142383 | 40696 | 0 | None | -151 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 10555288 | 41514 | 0 | None | -162 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(Cl)c1 | 10.1021/jm990200p | |||
| CHEMBL143066 | 41514 | 0 | None | -162 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(Cl)c1 | 10.1021/jm990200p | |||
| 10650633 | 44311 | 0 | None | -147 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1 | 10.1021/jm990200p | |||
| CHEMBL145610 | 44311 | 0 | None | -147 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1 | 10.1021/jm990200p | |||
| 10675068 | 103225 | 0 | None | -891 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL262217 | 103225 | 0 | None | -891 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3cccc(F)c3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 44213782 | 17312 | 0 | None | -588 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL1169493 | 17312 | 0 | None | -588 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)C1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CCC1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| 10840781 | 43707 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 569 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145122 | 43707 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 569 | 8 | 2 | 7 | 3.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 53248365 | 68860 | 0 | None | -190 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 2.9 | O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I | 10.1021/jm1009956 | |||
| CHEMBL1774995 | 68860 | 0 | None | -190 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 1 | 5 | 2.9 | O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I | 10.1021/jm1009956 | |||
| 11135150 | 14375 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1087942 | 14375 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL287686 | 14375 | 0 | None | -3 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 76330200 | 92115 | 0 | None | -3 | 3 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 323 | 3 | 2 | 5 | 1.2 | CN(c1c(O)ccc2c1CCCC2C1=NCCN1)S(C)(=O)=O | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261354 | 92115 | 0 | None | -3 | 3 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 323 | 3 | 2 | 5 | 1.2 | CN(c1c(O)ccc2c1CCCC2C1=NCCN1)S(C)(=O)=O | 10.1007/s00044-004-0020-z | |||
| 1530 | 8963 | 50 | None | -104 | 21 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 3827 | 8963 | 50 | None | -104 | 21 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 7206 | 8963 | 50 | None | -104 | 21 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| CHEMBL534 | 8963 | 50 | None | -104 | 21 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| DB00920 | 8963 | 50 | None | -104 | 21 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | |||
| 489 | 6933 | 28 | None | -380 | 12 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 5640 | 6933 | 28 | None | -380 | 12 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| CHEMBL420060 | 6933 | 28 | None | -380 | 12 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 76330198 | 92111 | 0 | None | -2 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 5 | 3 | 5 | 2.0 | CCCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261348 | 92111 | 0 | None | -2 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 337 | 5 | 3 | 5 | 2.0 | CCCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 10622206 | 108869 | 0 | None | -3 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | |||
| CHEMBL302192 | 108869 | 0 | None | -3 | 3 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 6 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)NCN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 | 10.1021/jm000541z | |||
| 44431611 | 94356 | 0 | None | -6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233582 | 94356 | 0 | None | -6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431560 | 152356 | 0 | None | 2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391530 | 152356 | 0 | None | 2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| 56649650 | 74633 | 0 | None | -21 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| CHEMBL1910141 | 74633 | 0 | None | -21 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 466 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| 10479323 | 41467 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1021/jm030952q | |||
| CHEMBL143026 | 41467 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccc(C(F)(F)F)cc1)C3 | 10.1021/jm030952q | |||
| 118716722 | 121794 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.5 | CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342875 | 121794 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 2.5 | CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(c3ccccc3OC)CC1)O2 | 10.1016/j.ejmech.2014.09.070 | |||
| 11395842 | 107467 | 0 | None | 6 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.0 | CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL292399 | 107467 | 0 | None | 6 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 412 | 7 | 0 | 4 | 4.0 | CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 2142 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 4920903 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 502 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 5775 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| CHEMBL597 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| DB00692 | 9870 | 58 | None | -5 | 37 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1016/j.bmcl.2005.07.083 | |||
| 10602180 | 175760 | 0 | None | -5 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL43909 | 175760 | 0 | None | -5 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 525 | 5 | 1 | 8 | 4.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 11762075 | 115279 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 4 | 2 | 5 | 3.3 | CC(C)(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL319972 | 115279 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 445 | 4 | 2 | 5 | 3.3 | CC(C)(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | |||
| 44298694 | 107468 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL292403 | 107468 | 0 | None | -9 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 7 | 1 | 6 | 2.0 | Cc1cn(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 10507089 | 109105 | 0 | None | -186 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL303627 | 109105 | 0 | None | -186 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 10747201 | 43656 | 0 | None | -1905 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 618 | 10 | 3 | 8 | 2.3 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL145072 | 43656 | 0 | None | -1905 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 618 | 10 | 3 | 8 | 2.3 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 10531675 | 43555 | 0 | None | -100 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 602 | 8 | 2 | 5 | 5.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL144989 | 43555 | 0 | None | -100 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 602 | 8 | 2 | 5 | 5.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 11183468 | 116649 | 2 | None | -3 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL323402 | 116649 | 2 | None | -3 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 155524736 | 177769 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 5 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4456257 | 177769 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 5 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| 11183468 | 116649 | 2 | None | -3 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL323402 | 116649 | 2 | None | -3 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 213 | 1 | 2 | 2 | 2.5 | Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 10745566 | 41092 | 0 | None | -134 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 566 | 10 | 1 | 6 | 5.1 | CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | |||
| CHEMBL142719 | 41092 | 0 | None | -134 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 566 | 10 | 1 | 6 | 5.1 | CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | |||
| 44295193 | 108555 | 0 | None | -54 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 576 | 7 | 2 | 9 | 2.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL299984 | 108555 | 0 | None | -54 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 576 | 7 | 2 | 9 | 2.6 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 11449200 | 85236 | 0 | None | -20 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL2111710 | 85236 | 0 | None | -20 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 291 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 487 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| 60602 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| CHEMBL405355 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| DB09239 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm00019a001 | |||
| 10320782 | 106753 | 0 | None | -22 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| CHEMBL286565 | 106753 | 0 | None | -22 | 7 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| 53779053 | 85212 | 0 | None | -15 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| CHEMBL2111563 | 85212 | 0 | None | -15 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| 10721730 | 44267 | 0 | None | -245 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145571 | 44267 | 0 | None | -245 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 568 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)c2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 4011 | 89183 | 49 | None | -19 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| CHEMBL21731 | 89183 | 49 | None | -19 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | |||
| 11488170 | 42004 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 10 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | |||
| CHEMBL143558 | 42004 | 0 | None | -5 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 10 | 2 | 8 | 3.6 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | |||
| 11152823 | 172038 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| CHEMBL423018 | 172038 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 367 | 5 | 2 | 6 | 2.6 | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3 | 10.1021/jm030952q | |||
| 10640982 | 33207 | 0 | None | -239 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| CHEMBL135974 | 33207 | 0 | None | -239 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| 44531812 | 201461 | 0 | None | -10 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL532818 | 201461 | 0 | None | -10 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 44531812 | 201461 | 0 | None | -10 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL532818 | 201461 | 0 | None | -10 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1016/s0960-894x(98)00446-6 | |||
| 11519153 | 92524 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11519153 | 92524 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL229085 | 92524 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL229085 | 92524 | 0 | None | -2 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 9826801 | 114714 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL319352 | 114714 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 9826801 | 114714 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL319352 | 114714 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1016/j.bmc.2012.10.049 | |||
| 9826801 | 114714 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | |||
| CHEMBL319352 | 114714 | 0 | None | -8 | 12 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 488 | 6 | 1 | 7 | 3.2 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm100652h | |||
| 12840735 | 204775 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57364 | 204775 | 0 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 | 10.1021/jm030944+ | |||
| 10478895 | 107003 | 0 | None | -2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL288530 | 107003 | 0 | None | -2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10718348 | 107021 | 0 | None | -3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL288678 | 107021 | 0 | None | -3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncncc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10839389 | 107130 | 0 | None | 3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(C#N)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL289627 | 107130 | 0 | None | 3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(C#N)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 44431557 | 96053 | 0 | None | 8 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236830 | 96053 | 0 | None | 8 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 541 | 8 | 1 | 6 | 4.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11857711 | 92396 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228280 | 92396 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| 10487999 | 66172 | 5 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1237160 | 66172 | 5 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL170960 | 66172 | 5 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1ccsc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| 145962478 | 169028 | 0 | None | -4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4163587 | 169028 | 0 | None | -4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 11474152 | 107397 | 0 | None | 11 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.8 | Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL291908 | 107397 | 0 | None | 11 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.8 | Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 44431594 | 174189 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL429623 | 174189 | 0 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11857709 | 92403 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857709 | 92403 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228334 | 92403 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228334 | 92403 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 9932835 | 107570 | 0 | None | 23 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL293111 | 107570 | 0 | None | 23 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 71817547 | 109355 | 0 | None | -8 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL2419771 | 109355 | 0 | None | -8 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| CHEMBL3040800 | 109355 | 0 | None | -8 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.4 | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)OCC2 | 10.1021/jm400867d | |||
| 145962945 | 168122 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4125846 | 168122 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 511 | 5 | 1 | 7 | 4.6 | COc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 90645606 | 119216 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298024 | 119216 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 4.8 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCNC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10679310 | 65988 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1sccc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL170201 | 65988 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1sccc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| CHEMBL1744269 | 65988 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 192 | 2 | 1 | 2 | 2.9 | Cc1sccc1C(C)c1c[nH]cn1 | 10.1021/jm0003891 | |||
| 10647790 | 108168 | 0 | None | -4 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 463 | 4 | 1 | 8 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL297218 | 108168 | 0 | None | -4 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 463 | 4 | 1 | 8 | 2.7 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)cnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 44428848 | 99069 | 0 | None | -9 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242724 | 99069 | 0 | None | -9 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 453 | 4 | 1 | 8 | 3.6 | COc1cc2nc(N3CCN(C(=O)c4cccs4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 9908283 | 205715 | 0 | None | 21 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 0 | 4 | 3.0 | Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| CHEMBL58476 | 205715 | 0 | None | 21 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 387 | 4 | 0 | 4 | 3.0 | Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| 44431547 | 161383 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL399195 | 161383 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 2419 | 7482 | 28 | None | -3 | 11 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| 9 | 7482 | 28 | None | -3 | 11 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| CHEMBL13647 | 7482 | 28 | None | -3 | 11 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm980053f | |||
| 44431548 | 93821 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232592 | 93821 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10582623 | 108545 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL299907 | 108545 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 52942395 | 24693 | 0 | None | -4 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL1259203 | 24693 | 0 | None | -4 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1016/j.bmc.2012.10.049 | |||
| 52942395 | 24693 | 0 | None | -4 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259203 | 24693 | 0 | None | -4 | 6 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 5.0 | CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cncnc4)cc23)CC1 | 10.1021/jm100652h | |||
| 148842 | 10718 | 27 | None | -8 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | |||
| 496 | 10718 | 27 | None | -8 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | |||
| CHEMBL278865 | 10718 | 27 | None | -8 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 10.1021/jm960697s | |||
| 9909211 | 100983 | 1 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1021/jm960697s | |||
| CHEMBL24981 | 100983 | 1 | None | -1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 404 | 8 | 2 | 7 | 1.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(C(N)=O)n2)CC1 | 10.1021/jm960697s | |||
| 46934641 | 23450 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242633 | 23450 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 44298447 | 107576 | 0 | None | -5 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 430 | 6 | 1 | 6 | 1.7 | Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL293149 | 107576 | 0 | None | -5 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 430 | 6 | 1 | 6 | 1.7 | Cc1c[nH]c(=O)n(CCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 134147929 | 156420 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL3947302 | 156420 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 7 | 0 | 4 | 3.5 | CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| 11857710 | 149141 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL388897 | 149141 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 25025048 | 146824 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3800305 | 146824 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 16041265 | 102112 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256597 | 102112 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 9822812 | 202651 | 0 | None | 30 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL55882 | 202651 | 0 | None | 30 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 44426405 | 148831 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL387832 | 148831 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | |||
| 16041451 | 104584 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL271913 | 104584 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 16041628 | 162129 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL403280 | 162129 | 0 | None | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10917953 | 214767 | 0 | None | -7 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 6 | 0 | 8 | 3.6 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL97242 | 214767 | 0 | None | -7 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 489 | 6 | 0 | 8 | 3.6 | Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 10742417 | 209552 | 0 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 5 | 1 | 6 | 3.0 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl | 10.1021/jm000541z | |||
| CHEMBL62109 | 209552 | 0 | None | -1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 5 | 1 | 6 | 3.0 | COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl | 10.1021/jm000541z | |||
| 52945156 | 23830 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 4.1 | COc1cccc(OC)c1[S+]([O-])CCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254660 | 23830 | 0 | None | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 455 | 13 | 1 | 6 | 4.1 | COc1cccc(OC)c1[S+]([O-])CCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 49781233 | 24697 | 0 | None | -41 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259217 | 24697 | 0 | None | -41 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 392 | 2 | 0 | 7 | 2.9 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4nnnn4C)cc32)CC1 | 10.1021/jm100652h | |||
| 10554492 | 175346 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 5 | 1 | 8 | 3.4 | COC(=O)c1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2c1 | 10.1021/jm990567u | |||
| CHEMBL43573 | 175346 | 0 | None | 1 | 3 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 505 | 5 | 1 | 8 | 3.4 | COC(=O)c1ccc2sc3c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c(=O)[nH]c3c2c1 | 10.1021/jm990567u | |||
| 10716964 | 107368 | 0 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL291769 | 107368 | 0 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)cc(C)cc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10810527 | 107349 | 0 | None | 2 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL291588 | 107349 | 0 | None | 2 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 1.8 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 11315660 | 174767 | 0 | None | 6 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL431943 | 174767 | 0 | None | 6 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.6 | O=C1CC2(CCCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 100 | 10577 | 58 | None | -1 | 54 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 2637 | 10577 | 58 | None | -1 | 54 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 5452 | 10577 | 58 | None | -1 | 54 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| CHEMBL479 | 10577 | 58 | None | -1 | 54 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| DB00679 | 10577 | 58 | None | -1 | 54 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | |||
| 11154198 | 208393 | 0 | None | -5 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL60583 | 208393 | 0 | None | -5 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 413 | 6 | 0 | 5 | 3.3 | CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 52946023 | 24686 | 0 | None | -4 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 7 | 2 | 4 | 3.6 | CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | |||
| CHEMBL1259187 | 24686 | 0 | None | -4 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 7 | 2 | 4 | 3.6 | CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1 | 10.1021/jm100652h | |||
| 9822477 | 206231 | 0 | None | 23 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| CHEMBL59149 | 206231 | 0 | None | 23 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 4 | 0 | 4 | 3.5 | Cc1ccc(Cl)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| 11081136 | 212005 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 8 | 1 | 7 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL78676 | 212005 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 8 | 1 | 7 | 3.7 | COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 1588 | 9105 | 27 | None | -20 | 44 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 28864 | 9105 | 27 | None | -20 | 44 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 43 | 9105 | 27 | None | -20 | 44 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| CHEMBL157138 | 9105 | 27 | None | -20 | 44 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| DB00589 | 9105 | 27 | None | -20 | 44 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | |||
| 16041090 | 102168 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256853 | 102168 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10310103 | 114089 | 0 | None | -5 | 9 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 425 | 5 | 0 | 5 | 5.3 | N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | |||
| CHEMBL317333 | 114089 | 0 | None | -5 | 9 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 425 | 5 | 0 | 5 | 5.3 | N#CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | |||
| 10394346 | 23735 | 0 | None | -16 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| CHEMBL125365 | 23735 | 0 | None | -16 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 638 | 11 | 2 | 10 | 3.0 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C(N)=O)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| 46881382 | 14096 | 0 | None | -158 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 5.4 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1086156 | 14096 | 0 | None | -158 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 5.4 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)S1 | 10.1016/j.bmcl.2010.01.030 | |||
| 118716706 | 121777 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 451 | 5 | 0 | 6 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342859 | 121777 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 451 | 5 | 0 | 6 | 2.9 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 56961507 | 128220 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | |||
| CHEMBL3582271 | 128220 | 0 | None | -4 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 678 | 6 | 4 | 11 | 5.0 | COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC | 10.1021/ml5004298 | |||
| 10649481 | 213597 | 0 | None | -1230 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL90420 | 213597 | 0 | None | -1230 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | |||
| 44331079 | 11090 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 5.3 | C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL100878 | 11090 | 0 | None | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 355 | 3 | 0 | 2 | 5.3 | C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| 44462130 | 212111 | 0 | None | -45 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL79532 | 212111 | 0 | None | -45 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00451-x | |||
| 118717456 | 121914 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343977 | 121914 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 9895338 | 101220 | 0 | None | -309 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C(=C(\O)OC)C(C)=N1 | 10.1021/jm960697s | |||
| CHEMBL25121 | 101220 | 0 | None | -309 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C(=C(\O)OC)C(C)=N1 | 10.1021/jm960697s | |||
| 118717456 | 121914 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343977 | 121914 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44417715 | 18610 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL1182160 | 18610 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL215857 | 18610 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| 11301627 | 16170 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111537 | 16170 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 11301627 | 16170 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111537 | 16170 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 319 | 4 | 2 | 3 | 3.0 | CC(C)S(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 11429464 | 107788 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 398 | 7 | 1 | 4 | 3.7 | O=C1CC2(CCCC2)CC(=O)N1CCNCCOc1cc(Cl)ccc1Cl | 10.1021/jm030944+ | |||
| CHEMBL294479 | 107788 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 398 | 7 | 1 | 4 | 3.7 | O=C1CC2(CCCC2)CC(=O)N1CCNCCOc1cc(Cl)ccc1Cl | 10.1021/jm030944+ | |||
| 136806218 | 119455 | 0 | None | -331 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328754 | 119455 | 0 | None | -331 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL330401 | 119455 | 0 | None | -331 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 682 | 15 | 4 | 9 | 3.9 | COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)C3c3ccc([N+](=O)[O-])cc3)CC2)cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 489 | 6933 | 28 | None | -34 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 5640 | 6933 | 28 | None | -34 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| CHEMBL420060 | 6933 | 28 | None | -34 | 12 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 10554140 | 125895 | 0 | None | -104 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL342731 | 125895 | 0 | None | -104 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 2470 | 10425 | 50 | None | -389 | 58 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| 3300 | 10425 | 50 | None | -389 | 58 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| 5265 | 10425 | 50 | None | -389 | 58 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| 99 | 10425 | 50 | None | -389 | 58 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| CHEMBL267930 | 10425 | 50 | None | -389 | 58 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm960510x | |||
| 9960497 | 107252 | 0 | None | -645 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| CHEMBL290860 | 107252 | 0 | None | -645 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.9 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 19085894 | 212338 | 0 | None | -87 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 7 | 0 | 9 | 2.3 | CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL81173 | 212338 | 0 | None | -87 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 7 | 0 | 9 | 2.3 | CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O | 10.1016/s0960-894x(98)00446-6 | |||
| 10721476 | 43773 | 0 | None | -691 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145170 | 43773 | 0 | None | -691 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 44362633 | 128325 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL358590 | 128325 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 10026936 | 170237 | 0 | None | -204 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41994 | 170237 | 0 | None | -204 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 118717457 | 121915 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343978 | 121915 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 11994915 | 18604 | 0 | None | -2 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182145 | 18604 | 0 | None | -2 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214762 | 18604 | 0 | None | -2 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 134153527 | 159216 | 0 | None | -9 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 6 | 1 | 4 | 3.4 | c1ccc(OCCNCC2CSC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3970754 | 159216 | 0 | None | -9 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 307 | 6 | 1 | 4 | 3.4 | c1ccc(OCCNCC2CSC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| 9922027 | 122188 | 0 | None | -1 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL3350265 | 122188 | 0 | None | -1 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 289 | 3 | 2 | 3 | 2.2 | CS(=O)(=O)Nc1cccc2c1CCC=C2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 118717457 | 121915 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343978 | 121915 | 0 | None | -4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 4.3 | COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 10791844 | 213936 | 0 | None | -1258 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 511 | 7 | 3 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL92328 | 213936 | 0 | None | -1258 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 511 | 7 | 3 | 4 | 4.0 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 76315668 | 92110 | 0 | None | -36 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 3 | 5 | 1.6 | CCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261347 | 92110 | 0 | None | -36 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 3 | 5 | 1.6 | CCS(=O)(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 9798183 | 19912 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1190579 | 19912 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL541129 | 19912 | 0 | None | -34 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 4.4 | Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 44431594 | 94794 | 0 | None | -21 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234422 | 94794 | 0 | None | -21 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 9 | 1 | 8 | 3.8 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431555 | 95938 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236618 | 95938 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44433348 | 174128 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL429453 | 174128 | 0 | None | -1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | |||
| 10506729 | 210478 | 0 | None | -53 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 9 | 1 | 6 | 4.4 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL67552 | 210478 | 0 | None | -53 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 544 | 9 | 1 | 6 | 4.4 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 1960 | 9632 | 67 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| 439260 | 9632 | 67 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| 505 | 9632 | 67 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| CHEMBL1437 | 9632 | 67 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| DB00368 | 9632 | 67 | None | -21 | 26 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm960354u | |||
| 44417713 | 19194 | 0 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1185884 | 19194 | 0 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL439346 | 19194 | 0 | None | -4 | 8 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 11133868 | 162121 | 0 | None | -9 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | |||
| CHEMBL40325 | 162121 | 0 | None | -9 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 435 | 9 | 1 | 5 | 5.4 | COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 | 10.1021/jm011066n | |||
| 127040157 | 143705 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3739897 | 143705 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| CHEMBL3742490 | 143705 | 0 | None | -7 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 375 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1039/C4MD00484A | |||
| 118716705 | 121776 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 424 | 5 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342858 | 121776 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 424 | 5 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccn4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 10815549 | 128792 | 0 | None | -549 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 509 | 9 | 0 | 5 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL359421 | 128792 | 0 | None | -549 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 509 | 9 | 0 | 5 | 6.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 11800744 | 214110 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 547 | 7 | 3 | 4 | 4.4 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL93523 | 214110 | 0 | None | -10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 547 | 7 | 3 | 4 | 4.4 | N#Cc1ccccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 10507129 | 128751 | 0 | None | -27 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm990200p | |||
| CHEMBL359173 | 128751 | 0 | None | -27 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm990200p | |||
| 10414908 | 209543 | 0 | None | -457 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 539 | 7 | 0 | 4 | 5.9 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL62045 | 209543 | 0 | None | -457 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 539 | 7 | 0 | 4 | 5.9 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CCCN3CCC(C#N)(c4ccccc4Cl)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 10839825 | 213520 | 0 | None | -5623 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL89965 | 213520 | 0 | None | -5623 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.1 | CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| 1028 | 7079 | 71 | None | -17 | 30 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 139148732 | 7079 | 71 | None | -17 | 30 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 479 | 7079 | 71 | None | -17 | 30 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 5816 | 7079 | 71 | None | -17 | 30 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| CHEMBL679 | 7079 | 71 | None | -17 | 30 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| DB00668 | 7079 | 71 | None | -17 | 30 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | nan | |||
| 10859076 | 20454 | 0 | None | -3 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1194763 | 20454 | 0 | None | -3 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL553276 | 20454 | 0 | None | -3 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 249 | 5 | 2 | 4 | 2.6 | CC(C)Sc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 9894818 | 105701 | 0 | None | -138 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL279436 | 105701 | 0 | None | -138 | 7 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 10221004 | 211010 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70973 | 211010 | 0 | None | -2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 267 | 5 | 2 | 5 | 0.9 | CCS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 19085832 | 170555 | 0 | None | -11 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 483 | 6 | 0 | 7 | 3.5 | Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL420578 | 170555 | 0 | None | -11 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 483 | 6 | 0 | 7 | 3.5 | Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1 | 10.1016/s0960-894x(98)00446-6 | |||
| 10643994 | 84031 | 0 | None | -2 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL2079655 | 84031 | 0 | None | -2 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 10698974 | 97897 | 0 | None | -117 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 610 | 5 | 1 | 7 | 4.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL239806 | 97897 | 0 | None | -117 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 610 | 5 | 1 | 7 | 4.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 44362633 | 128325 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL358590 | 128325 | 0 | None | -138 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 597 | 9 | 3 | 6 | 3.9 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCC(C)N2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 49783209 | 24381 | 0 | None | -3981 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| CHEMBL1258223 | 24381 | 0 | None | -3981 | 26 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | |||
| 118717461 | 121921 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343983 | 121921 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 118717461 | 121921 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343983 | 121921 | 0 | None | -6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 11857709 | 92414 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857709 | 92414 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228389 | 92414 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228389 | 92414 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 556 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 59151543 | 146364 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3797369 | 146364 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1 | 10.1021/acs.jmedchem.5b01528 | |||
| 12134996 | 210866 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 385 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL70178 | 210866 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 385 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 11268507 | 203373 | 0 | None | 2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 363 | 4 | 0 | 4 | 2.6 | CC1(C)CC(=O)N(CCN2CCN(c3ccccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | |||
| CHEMBL56403 | 203373 | 0 | None | 2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 363 | 4 | 0 | 4 | 2.6 | CC1(C)CC(=O)N(CCN2CCN(c3ccccc3Cl)CC2)C(=O)C1 | 10.1021/jm030944+ | |||
| 118716720 | 121792 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 425 | 5 | 0 | 7 | 1.0 | COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342873 | 121792 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 425 | 5 | 0 | 7 | 1.0 | COc1ccccc1N1CCN(CC2COC3(CCN(S(C)(=O)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 9959689 | 108590 | 0 | None | -281 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL300222 | 108590 | 0 | None | -281 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 10792591 | 213602 | 0 | None | -104 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | |||
| CHEMBL90453 | 213602 | 0 | None | -104 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 542 | 7 | 1 | 4 | 4.7 | CC(=O)N1C(=O)N(C)C(C)=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm990612y | |||
| 10769037 | 43982 | 0 | None | -70 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145332 | 43982 | 0 | None | -70 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10769058 | 172457 | 0 | None | -208 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL424494 | 172457 | 0 | None | -208 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 552 | 6 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 44288841 | 107916 | 0 | None | -26 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL295304 | 107916 | 0 | None | -26 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.8 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44288794 | 168855 | 0 | None | -45 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 8 | 1 | 3 | 5.0 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL416073 | 168855 | 0 | None | -45 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 8 | 1 | 3 | 5.0 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 71062646 | 156322 | 0 | None | -3801 | 13 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | |||
| CHEMBL3946661 | 156322 | 0 | None | -3801 | 13 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 338 | 6 | 0 | 4 | 2.8 | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 | nan | |||
| 3952 | 8669 | 38 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5353646 | 8669 | 38 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5443 | 8669 | 38 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 5702063 | 8669 | 38 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL1331786 | 8669 | 38 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| CHEMBL420 | 8669 | 38 | None | -6 | 12 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | nan | |||
| 3652 | 53018 | 70 | None | 1 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | |||
| CHEMBL1535 | 53018 | 70 | None | 1 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | |||
| 9947861 | 210941 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70634 | 210941 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 3086326 | 211310 | 22 | None | -64 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL72753 | 211310 | 22 | None | -64 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 247 | 1 | 2 | 5 | 1.7 | Clc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 44431560 | 95939 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236621 | 95939 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| 44431607 | 154373 | 0 | None | -42 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL393105 | 154373 | 0 | None | -42 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44431560 | 95939 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL236621 | 95939 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 134551 | 7146 | 27 | None | -10 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 271 | 7146 | 27 | None | -10 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 885 | 7146 | 27 | None | -10 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| CHEMBL1403281 | 7146 | 27 | None | -10 | 21 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 1043 | 8363 | 14 | None | -263 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 149 | 8363 | 14 | None | -263 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 8223 | 8363 | 14 | None | -263 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| CHEMBL442 | 8363 | 14 | None | -263 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| DB00696 | 8363 | 14 | None | -263 | 29 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 4 | 3 | 6 | 2.0 | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | nan | |||
| 44331150 | 11202 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 6 | 1 | 7 | 4.4 | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL101579 | 11202 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 530 | 6 | 1 | 7 | 4.4 | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1 | 10.1016/s0960-894x(98)00732-x | |||
| 11211017 | 205013 | 0 | None | -1 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57546 | 205013 | 0 | None | -1 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 2.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2)CC1 | 10.1021/jm030944+ | |||
| 44431551 | 93986 | 0 | None | -33 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232780 | 93986 | 0 | None | -33 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11282574 | 44506 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3 | 10.1021/jm030952q | |||
| CHEMBL145785 | 44506 | 0 | None | -3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1ccccc1C(F)(F)F)C3 | 10.1021/jm030952q | |||
| 10767264 | 213773 | 0 | None | -616 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 7 | 3 | 3 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL91405 | 213773 | 0 | None | -616 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 7 | 3 | 3 | 4.1 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 10815593 | 213818 | 0 | None | -1995 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| CHEMBL91616 | 213818 | 0 | None | -1995 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| 10696866 | 213712 | 0 | None | -15135 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 504 | 7 | 3 | 5 | 3.1 | N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL91091 | 213712 | 0 | None | -15135 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 504 | 7 | 3 | 5 | 3.1 | N#Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 44288995 | 169663 | 0 | None | -100 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL417350 | 169663 | 0 | None | -100 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)cc2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 1016 | 10519 | 78 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2561 | 10519 | 78 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2733526 | 10519 | 78 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 5384 | 10519 | 78 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| CHEMBL83 | 10519 | 78 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| DB00675 | 10519 | 78 | None | -22 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 10950355 | 119378 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 445 | 7 | 2 | 5 | 3.3 | CCCCc1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL330198 | 119378 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 445 | 7 | 2 | 5 | 3.3 | CCCCc1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | |||
| 136680383 | 174781 | 0 | None | -144 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328800 | 174781 | 0 | None | -144 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL432026 | 174781 | 0 | None | -144 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 19085876 | 212593 | 0 | None | -301 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83272 | 212593 | 0 | None | -301 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 18738386 | 210817 | 0 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 413 | 7 | 0 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL69848 | 210817 | 0 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 413 | 7 | 0 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 16041449 | 101995 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256040 | 101995 | 0 | None | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 49781680 | 24657 | 0 | None | -25 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(C)c1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259097 | 24657 | 0 | None | -25 | 4 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 414 | 2 | 0 | 3 | 6.0 | Cc1cccc(C)c1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 14378574 | 115364 | 0 | None | 4 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1021/jm0307741 | |||
| CHEMBL320397 | 115364 | 0 | None | 4 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 2.8 | COc1cc2c(cc1O)CCN1Cc3c(ccc(O)c3OC)C[C@@H]21 | 10.1021/jm0307741 | |||
| 10673466 | 168543 | 0 | None | 3 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL41396 | 168543 | 0 | None | 3 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 481 | 4 | 1 | 6 | 4.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)cccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 9981635 | 43684 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | |||
| CHEMBL145098 | 43684 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | |||
| CHEMBL2112853 | 43684 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 459 | 5 | 2 | 5 | 4.4 | COc1cc2nc3c(c(N)c2cc1OC)CCC(CNC(=O)c1cccc(C(F)(F)F)c1)C3 | 10.1021/jm030952q | |||
| 9872851 | 103860 | 3 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 10 | 1 | 7 | 4.6 | COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O | 10.1021/jm960697s | |||
| CHEMBL267336 | 103860 | 3 | None | -125 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 10 | 1 | 7 | 4.6 | COc1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1S(N)(=O)=O | 10.1021/jm960697s | |||
| 155567201 | 183007 | 0 | None | -15 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4588223 | 183007 | 0 | None | -15 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4594654 | 183007 | 0 | None | -15 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)OC1 | 10.1016/j.ejmech.2019.05.024 | |||
| 71521479 | 93034 | 0 | None | -81 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL2312536 | 93034 | 0 | None | -81 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 118716699 | 121609 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 4 | 0 | 6 | 1.7 | COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3341769 | 121609 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 4 | 0 | 6 | 1.7 | COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44298650 | 169934 | 0 | None | -100 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL417954 | 169934 | 0 | None | -100 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(F)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 9891937 | 201527 | 0 | None | -31 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.4 | CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL53675 | 201527 | 0 | None | -31 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 458 | 8 | 1 | 6 | 2.4 | CCc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 46881493 | 13760 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.3 | Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1084658 | 13760 | 0 | None | -3 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.3 | Cc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 10739024 | 76608 | 0 | None | -10 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19376 | 76608 | 0 | None | -10 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 59151572 | 146663 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.2 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccnc1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799335 | 146663 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.2 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccnc1 | 10.1021/acs.jmedchem.5b01528 | |||
| 10626493 | 214166 | 0 | None | -831 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 4.0 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O | 10.1021/jm990612y | |||
| CHEMBL93843 | 214166 | 0 | None | -831 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 4.0 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C1=O | 10.1021/jm990612y | |||
| 9985476 | 44058 | 0 | None | -1584 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145394 | 44058 | 0 | None | -1584 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10651636 | 44635 | 0 | None | -4168 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 630 | 8 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145894 | 44635 | 0 | None | -4168 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 630 | 8 | 2 | 5 | 6.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 44288816 | 162090 | 0 | None | -40 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 443 | 8 | 1 | 3 | 5.4 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL40303 | 162090 | 0 | None | -40 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 443 | 8 | 1 | 3 | 5.4 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 9815005 | 116438 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL322492 | 116438 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9815005 | 116438 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL322492 | 116438 | 0 | None | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | CS(=O)(=O)Nc1cccc2c1CCCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 18738380 | 18713 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 417 | 9 | 1 | 6 | 1.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL11828 | 18713 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 417 | 9 | 1 | 6 | 1.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 92766 | 113319 | 35 | None | -2 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| CHEMBL31410 | 113319 | 35 | None | -2 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 | 10.1021/jm00019a001 | |||
| 1531 | 9046 | 69 | None | -14 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 3869 | 9046 | 69 | None | -14 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 7207 | 9046 | 69 | None | -14 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| CHEMBL429 | 9046 | 69 | None | -14 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| DB00598 | 9046 | 69 | None | -14 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | nan | |||
| 11857791 | 92415 | 0 | None | -12 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228390 | 92415 | 0 | None | -12 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| 1201549 | 7384 | 24 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 333 | 7384 | 24 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 7601 | 7384 | 24 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL1201203 | 7384 | 24 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL438151 | 7384 | 24 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| DB00245 | 7384 | 24 | None | -12 | 20 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | |||
| 59151614 | 146689 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 304 | 4 | 3 | 4 | 0.9 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(C(N)=O)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799486 | 146689 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 304 | 4 | 3 | 4 | 0.9 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cccc(C(N)=O)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 44222842 | 201871 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| CHEMBL549764 | 201871 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm8016046 | |||
| 118716716 | 121788 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342869 | 121788 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 7 | 0 | 8 | 3.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 16041628 | 162129 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL403280 | 162129 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 9824384 | 125565 | 1 | None | -7 | 8 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| CHEMBL342062 | 125565 | 1 | None | -7 | 8 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| 44428850 | 99070 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 4 | 1 | 8 | 2.9 | COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242725 | 99070 | 0 | None | -4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 4 | 1 | 8 | 2.9 | COc1cc2nc(N3CCN(C(=O)c4ccccn4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 118716710 | 121782 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342863 | 121782 | 0 | None | -2 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCN4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 9890459 | 23703 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 460 | 10 | 1 | 7 | 1.3 | CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12529 | 23703 | 0 | None | -13 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 460 | 10 | 1 | 7 | 1.3 | CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(c2ccccc2OC(C)C)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 10840194 | 118605 | 0 | None | -1862 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 3.6 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL328763 | 118605 | 0 | None | -1862 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 3.6 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 10369288 | 214037 | 0 | None | -1096 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL92951 | 214037 | 0 | None | -1096 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 9 | 3 | 4 | 3.7 | COCC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 10627090 | 41335 | 0 | None | -2630 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 581 | 9 | 2 | 7 | 3.8 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL142929 | 41335 | 0 | None | -2630 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 581 | 9 | 2 | 7 | 3.8 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 10555223 | 43899 | 0 | None | -263 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| CHEMBL145267 | 43899 | 0 | None | -263 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| 10026936 | 170237 | 0 | None | -204 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41994 | 170237 | 0 | None | -204 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 453 | 8 | 1 | 3 | 5.1 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(F)c(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 12134994 | 170086 | 0 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 316 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL418882 | 170086 | 0 | None | 2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 316 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 10764133 | 91347 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153560 | 91347 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220899 | 91347 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 10199335 | 211526 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL74467 | 211526 | 0 | None | -3 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 131829 | 211506 | 15 | None | -416 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL74283 | 211506 | 15 | None | -416 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 295 | 1 | 4 | 5 | 1.7 | Brc1c(NC2=NCCN2)ccc2c1NCCN2 | 10.1016/0960-894X(95)00391-6 | |||
| 10267873 | 117437 | 0 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL325897 | 117437 | 0 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1007/s00044-004-0020-z | |||
| 9796526 | 116661 | 0 | None | -6 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | Cc1ccc(NS(C)(=O)=O)c2c1C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | |||
| CHEMBL323440 | 116661 | 0 | None | -6 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 3 | 2 | 3 | 2.6 | Cc1ccc(NS(C)(=O)=O)c2c1C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | |||
| 10267873 | 117437 | 0 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1021/jm030551a | |||
| CHEMBL325897 | 117437 | 0 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 4 | 2 | 3 | 2.8 | O=S(=O)(Nc1cccc2c1CCCC2c1c[nH]cn1)C1CC1 | 10.1021/jm030551a | |||
| 44431548 | 93826 | 0 | None | -26 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232593 | 93826 | 0 | None | -26 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 56649648 | 74630 | 0 | None | -81 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| CHEMBL1910139 | 74630 | 0 | None | -81 | 8 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 474 | 8 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| 122179431 | 128221 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| CHEMBL3582272 | 128221 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 585 | 9 | 1 | 13 | 3.1 | CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 | 10.1021/ml5004298 | |||
| 10603030 | 214242 | 0 | None | -64 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 565 | 7 | 3 | 4 | 4.5 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL94259 | 214242 | 0 | None | -64 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 565 | 7 | 3 | 4 | 4.5 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=C(C(F)(F)F)NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 10627279 | 43987 | 0 | None | -128 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 592 | 9 | 3 | 8 | 3.0 | CNC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL145334 | 43987 | 0 | None | -128 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 592 | 9 | 3 | 8 | 3.0 | CNC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 44289034 | 172732 | 0 | None | -794 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2cccc(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42514 | 172732 | 0 | None | -794 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 8 | 1 | 3 | 4.9 | Cc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2cccc(F)c2)C(C)C)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 12134986 | 171173 | 0 | None | -70 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| CHEMBL421324 | 171173 | 0 | None | -70 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 7 | 0 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| 132060812 | 168815 | 0 | None | -724 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4160064 | 168815 | 0 | None | -724 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | |||
| 16215415 | 194111 | 1 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | |||
| CHEMBL493091 | 194111 | 1 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 471 | 9 | 2 | 3 | 3.8 | CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br | 10.1021/np800339e | |||
| 9838192 | 118089 | 18 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL326702 | 118089 | 18 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1007/s00044-004-0020-z | |||
| 9838192 | 118089 | 18 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | |||
| CHEMBL326702 | 118089 | 18 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm030551a | |||
| 19085827 | 111640 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL311014 | 111640 | 0 | None | -5 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 136806214 | 214908 | 0 | None | -60 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44329028 | 214908 | 0 | None | -60 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL98038 | 214908 | 0 | None | -60 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 633 | 15 | 4 | 9 | 2.4 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44312037 | 211398 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL73392 | 211398 | 1 | None | -2 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 308 | 1 | 1 | 5 | 2.9 | Brc1c(NC2=NCCS2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 10721568 | 210629 | 0 | None | -32 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL68604 | 210629 | 0 | None | -32 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 2.9 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 10698570 | 125536 | 0 | None | -562 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL341849 | 125536 | 0 | None | -562 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 145958538 | 169044 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4163810 | 169044 | 0 | None | 1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 303 | 3 | 2 | 7 | 1.2 | COc1cc2nc(N3CCC[C@H](N)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 118716708 | 121780 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 441 | 5 | 0 | 7 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342861 | 121780 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 441 | 5 | 0 | 7 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)c4ccco4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 11995034 | 18605 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182148 | 18605 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214952 | 18605 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 11339351 | 204090 | 0 | None | -7 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 427 | 6 | 0 | 6 | 2.7 | CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56878 | 204090 | 0 | None | -7 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 427 | 6 | 0 | 6 | 2.7 | CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 9838192 | 118089 | 18 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | |||
| CHEMBL326702 | 118089 | 18 | None | -2 | 6 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 265 | 5 | 2 | 3 | 1.8 | CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1 | 10.1021/jm025550h | |||
| 10382537 | 210945 | 12 | None | -41 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL70676 | 210945 | 12 | None | -41 | 6 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 1 | 2 | 5 | 1.6 | Ic1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 11811395 | 211480 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL74071 | 211480 | 0 | None | -2 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 281 | 5 | 2 | 5 | 1.3 | CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 44318075 | 212145 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 7 | 0 | 6 | 4.7 | O=C1CCCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL79817 | 212145 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 7 | 0 | 6 | 4.7 | O=C1CCCCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| 10506222 | 118263 | 0 | None | -691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.5 | COCC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL327716 | 118263 | 0 | None | -691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 9 | 3 | 5 | 3.5 | COCC1=C(C(=O)NCCCN2CCC(c3ccccc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 9905391 | 116263 | 0 | None | -6 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1ccc(Cl)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL322082 | 116263 | 0 | None | -6 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 3 | 2 | 3 | 2.9 | CS(=O)(=O)Nc1ccc(Cl)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 102 | 10899 | 48 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 3659 | 10899 | 48 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 8969 | 10899 | 48 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| CHEMBL15245 | 10899 | 48 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| DB01392 | 10899 | 48 | None | -363 | 49 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00019a001 | |||
| 16041264 | 102218 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257077 | 102218 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 155529118 | 183343 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4462768 | 183343 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4597358 | 183343 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 11281688 | 204046 | 0 | None | 7 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2c(Cl)cccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56851 | 204046 | 0 | None | 7 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2c(Cl)cccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 10092649 | 199852 | 56 | None | -26 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | |||
| CHEMBL522460 | 199852 | 56 | None | -26 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | |||
| 10674333 | 44268 | 0 | None | -407 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 554 | 8 | 3 | 6 | 2.9 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145574 | 44268 | 0 | None | -407 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 554 | 8 | 3 | 6 | 2.9 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 9916549 | 128342 | 0 | None | -1023 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL358595 | 128342 | 0 | None | -1023 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 44289058 | 172124 | 0 | None | -39 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.5 | CC(C)C(C(=O)NCCCN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42361 | 172124 | 0 | None | -39 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 403 | 8 | 1 | 3 | 4.5 | CC(C)C(C(=O)NCCCN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 73213196 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | |||
| CHEMBL3104093 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2014.05.016 | |||
| 73213196 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104093 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 73213196 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104093 | 111237 | 4 | None | -2 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 44417709 | 19192 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| CHEMBL1185857 | 19192 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| CHEMBL436955 | 19192 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| 145962085 | 168780 | 0 | None | -6 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4159468 | 168780 | 0 | None | -6 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 10804826 | 30387 | 2 | None | -3 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | |||
| CHEMBL133451 | 30387 | 2 | None | -3 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 3 | 5 | 1.2 | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 | 10.1021/jm960354u | |||
| 11857791 | 175776 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL439197 | 175776 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 554 | 7 | 1 | 6 | 4.9 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| 16041263 | 102222 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257098 | 102222 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 9982050 | 108711 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 6 | 1 | 9 | 2.5 | COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1 | 10.1021/jm981006q | |||
| CHEMBL301078 | 108711 | 0 | None | -2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 6 | 1 | 9 | 2.5 | COc1ccccc1N1CCN(CCNc2ccc3c4c(=O)n(C)nc(Cl)c4cn3n2)CC1 | 10.1021/jm981006q | |||
| 134152568 | 159866 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL3976144 | 159866 | 0 | None | -1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 7 | 0 | 4 | 3.8 | COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1 | 10.1016/j.ejmech.2016.06.052 | |||
| 10973768 | 114337 | 0 | None | -7 | 10 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 563 | 6 | 1 | 8 | 4.4 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL318901 | 114337 | 0 | None | -7 | 10 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 563 | 6 | 1 | 8 | 4.4 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 10511224 | 66101 | 7 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1nc(Cc2ccsc2)c[nH]1 | 10.1021/jm0003891 | |||
| CHEMBL170614 | 66101 | 7 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1nc(Cc2ccsc2)c[nH]1 | 10.1021/jm0003891 | |||
| CHEMBL1744292 | 66101 | 7 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1nc(Cc2ccsc2)c[nH]1 | 10.1021/jm0003891 | |||
| 9909471 | 203685 | 0 | None | 17 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56620 | 203685 | 0 | None | 17 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 3.4 | O=C1CC2(CCCC2)C(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 11303180 | 205005 | 0 | None | 1 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57540 | 205005 | 0 | None | 1 | 5 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 5 | 0 | 4 | 3.1 | COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 115 | 7131 | 71 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| 2092 | 7131 | 71 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| 7109 | 7131 | 71 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| CHEMBL709 | 7131 | 71 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| DB00346 | 7131 | 71 | None | -1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm960697s | |||
| 126225 | 101751 | 5 | None | 1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm960697s | |||
| CHEMBL25467 | 101751 | 5 | None | 1 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 263 | 1 | 0 | 2 | 4.2 | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 | 10.1021/jm960697s | |||
| 44431546 | 94917 | 0 | None | -4 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234680 | 94917 | 0 | None | -4 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11014848 | 211903 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 399 | 7 | 1 | 8 | 1.5 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL77901 | 211903 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 399 | 7 | 1 | 8 | 1.5 | COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 9824384 | 125565 | 1 | None | -2 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| CHEMBL342062 | 125565 | 1 | None | -2 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1021/jm960510x | |||
| 90645594 | 119263 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 4.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298747 | 119263 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 597 | 10 | 2 | 8 | 4.7 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 10252540 | 92132 | 1 | None | -15 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261604 | 92132 | 1 | None | -15 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 132266 | 8061 | 12 | None | -5 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | |||
| 486 | 8061 | 12 | None | -5 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL423294 | 8061 | 12 | None | -5 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2007.01.028 | |||
| 44428851 | 99093 | 0 | None | -6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242934 | 99093 | 0 | None | -6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 447 | 4 | 1 | 7 | 3.5 | COc1cc2nc(N3CCN(C(=O)c4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 132266 | 8061 | 12 | None | -5 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | |||
| 486 | 8061 | 12 | None | -5 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL423294 | 8061 | 12 | None | -5 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1016/j.bmc.2018.05.023 | |||
| 25181489 | 194136 | 0 | None | -3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| CHEMBL493285 | 194136 | 0 | None | -3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| 9929277 | 107755 | 0 | None | 16 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.7 | O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL294235 | 107755 | 0 | None | 16 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 2.7 | O=C1CCCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 10552608 | 107194 | 0 | None | -8 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)c(C)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL290243 | 107194 | 0 | None | -8 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5nc(C)c(C)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 44431551 | 93985 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232779 | 93985 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 90645603 | 119213 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 4.9 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298021 | 119213 | 0 | None | 1 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 567 | 8 | 1 | 8 | 4.9 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 11994665 | 18606 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182151 | 18606 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL215151 | 18606 | 0 | None | -3 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 44431555 | 95937 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236617 | 95937 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 535 | 8 | 1 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980053f | |||
| 58150016 | 146849 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | CC(c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3800470 | 146849 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 300 | 3 | 2 | 4 | 2.2 | CC(c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm980077m | |||
| 136 | 10065 | 32 | None | -107 | 16 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 223 | 10065 | 32 | None | -107 | 16 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 643606 | 10065 | 32 | None | -107 | 16 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| CHEMBL10347 | 10065 | 32 | None | -107 | 16 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 115 | 7131 | 71 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 2092 | 7131 | 71 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 7109 | 7131 | 71 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| CHEMBL709 | 7131 | 71 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| DB00346 | 7131 | 71 | None | -1 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990200p | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm990202+ | |||
| 11039289 | 123618 | 0 | None | -37 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | |||
| CHEMBL338029 | 123618 | 0 | None | -37 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 600 | 13 | 1 | 9 | 4.7 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCCCO[N+](=O)[O-])CC3)cccc2c1=O | 10.1021/jm030825u | |||
| 115 | 7131 | 71 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 2092 | 7131 | 71 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 7109 | 7131 | 71 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| CHEMBL709 | 7131 | 71 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| DB00346 | 7131 | 71 | None | -1 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10.1021/jm00018a001 | |||
| 44431616 | 94851 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234649 | 94851 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 8 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 49781448 | 24622 | 0 | None | -6 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 2 | 0 | 4 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)s1 | 10.1021/jm100652h | |||
| CHEMBL1259005 | 24622 | 0 | None | -6 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 2 | 0 | 4 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)s1 | 10.1021/jm100652h | |||
| 10678895 | 65646 | 4 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccc(Cc2c[nH]cn2)s1 | 10.1021/jm0003891 | |||
| CHEMBL1203847 | 65646 | 4 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccc(Cc2c[nH]cn2)s1 | 10.1021/jm0003891 | |||
| CHEMBL168865 | 65646 | 4 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 178 | 2 | 1 | 2 | 2.4 | Cc1ccc(Cc2c[nH]cn2)s1 | 10.1021/jm0003891 | |||
| 107715 | 207724 | 22 | None | -13 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL1255837 | 207724 | 22 | None | -13 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL601773 | 207724 | 22 | None | -13 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| 11133288 | 172812 | 0 | None | -9 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | |||
| CHEMBL42558 | 172812 | 0 | None | -9 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 12 | 1 | 5 | 4.3 | COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1 | 10.1021/jm011066n | |||
| 25131198 | 93035 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL2312537 | 93035 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.02.056 | |||
| 76308474 | 113011 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261607 | 113011 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138856 | 113011 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1 | 10.1007/s00044-004-0024-8 | |||
| 44428846 | 98964 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242508 | 98964 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 467 | 5 | 1 | 9 | 3.1 | COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@@H]3CCCC[C@@H]32)o1 | 10.1016/j.bmc.2007.01.028 | |||
| 25181489 | 194136 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm800461k | |||
| CHEMBL493285 | 194136 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm800461k | |||
| 25131198 | 93035 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| CHEMBL2312537 | 93035 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| 11348796 | 107506 | 4 | None | 7 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL292686 | 107506 | 4 | None | 7 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 3.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1 | 10.1021/jm030944+ | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00010a001 | |||
| 57929587 | 146763 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 1.5 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cc(Cl)cc(C(N)=O)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799912 | 146763 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 1.5 | N=c1c(C(N)=O)cc(Cl)cn1Cc1cc(Cl)cc(C(N)=O)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 16041449 | 101995 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256040 | 101995 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 9877827 | 127526 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 2.9 | c1nc(Cc2cc3c(s2)CCCC3)c[nH]1 | 10.1021/jm0003891 | |||
| CHEMBL1203856 | 127526 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 2.9 | c1nc(Cc2cc3c(s2)CCCC3)c[nH]1 | 10.1021/jm0003891 | |||
| CHEMBL355043 | 127526 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 2.9 | c1nc(Cc2cc3c(s2)CCCC3)c[nH]1 | 10.1021/jm0003891 | |||
| 10606670 | 205871 | 0 | None | -14 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 465 | 6 | 0 | 8 | 2.4 | COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC | 10.1021/jm000541z | |||
| CHEMBL58862 | 205871 | 0 | None | -14 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 465 | 6 | 0 | 8 | 2.4 | COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC | 10.1021/jm000541z | |||
| 52941004 | 23863 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 13 | 1 | 5 | 4.7 | CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254914 | 23863 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 407 | 13 | 1 | 5 | 4.7 | CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 145953314 | 168208 | 0 | None | -4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4127078 | 168208 | 0 | None | -4 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 7 | 1 | 7 | 3.8 | CCCCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2018.05.023 | |||
| 9892644 | 204125 | 0 | None | 12 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 4 | 0 | 4 | 4.0 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56899 | 204125 | 0 | None | 12 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 4 | 0 | 4 | 4.0 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1 | 10.1021/jm030944+ | |||
| 10813408 | 165132 | 0 | None | -2 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL40896 | 165132 | 0 | None | -2 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 449 | 4 | 1 | 8 | 2.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cncnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10368033 | 107201 | 0 | None | -5 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL290387 | 107201 | 0 | None | -5 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10368033 | 107201 | 0 | None | -5 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL290387 | 107201 | 0 | None | -5 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 8 | 3.0 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ncc(Cl)nc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 45268939 | 203439 | 0 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL564481 | 203439 | 0 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 505 | 4 | 1 | 9 | 3.0 | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 11441652 | 107709 | 0 | None | 3 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL293980 | 107709 | 0 | None | 3 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2Cl)CC1 | 10.1021/jm030944+ | |||
| 56946573 | 78301 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946780 | 78301 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| CHEMBL1962870 | 78301 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 4.9 | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 | 10.1021/jm200421e | |||
| 70820427 | 174438 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.4 | O=S1(=O)CCC(NCCOc2cc(F)ccc2Cl)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4205740 | 174438 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.4 | O=S1(=O)CCC(NCCOc2cc(F)ccc2Cl)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4301839 | 174438 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.4 | O=S1(=O)CCC(NCCOc2cc(F)ccc2Cl)c2ccccc21 | 10.1016/j.ejmech.2017.07.071 | |||
| 10348924 | 24717 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| CHEMBL125989 | 24717 | 0 | None | -5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 620 | 10 | 1 | 10 | 3.8 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C#N)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| 10994812 | 211875 | 0 | None | -8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL77618 | 211875 | 0 | None | -8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 9 | 1 | 8 | 3.9 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 3157 | 8252 | 71 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| 7170 | 8252 | 71 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| 954 | 8252 | 71 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| DB00590 | 8252 | 71 | None | -1 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1021/jm960697s | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm960697s | |||
| 52941624 | 23864 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 393 | 12 | 1 | 5 | 4.3 | COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1254915 | 23864 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 393 | 12 | 1 | 5 | 4.3 | COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 69781970 | 168130 | 0 | None | -10 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4125981 | 168130 | 0 | None | -10 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 477 | 5 | 1 | 8 | 4.0 | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 71458492 | 91344 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153556 | 91344 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220896 | 91344 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 379 | 8 | 1 | 6 | 3.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 44431547 | 94918 | 0 | None | -34 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234681 | 94918 | 0 | None | -34 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 1070749 | 146390 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 261 | 3 | 2 | 3 | 1.8 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3797529 | 146390 | 2 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 261 | 3 | 2 | 3 | 1.8 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| 10627155 | 43993 | 0 | None | -151 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 585 | 8 | 2 | 8 | 3.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145338 | 43993 | 0 | None | -151 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 585 | 8 | 2 | 8 | 3.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 44431173 | 99577 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 519 | 5 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| CHEMBL243690 | 99577 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 519 | 5 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4c(F)c(F)c(F)c(F)c4C3=O)CC2)CC1 | 10.1016/j.bmcl.2006.12.111 | |||
| 155542075 | 183398 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4520390 | 183398 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4597826 | 183398 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.4 | c1ccc(OCCNCCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 53328316 | 70165 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 9 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796036 | 70165 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 449 | 9 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(CCCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 10775000 | 114171 | 2 | None | -8 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL317912 | 114171 | 2 | None | -8 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 214 | 1 | 2 | 2 | 2.6 | Oc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 9900133 | 15757 | 0 | None | -33 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL109827 | 15757 | 0 | None | -33 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9900133 | 15757 | 0 | None | -33 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL109827 | 15757 | 0 | None | -33 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 2 | 2 | 3 | 3.1 | COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 9796667 | 116243 | 0 | None | -9 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | CS(=O)(=O)Nc1ccc(F)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL322042 | 116243 | 0 | None | -9 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | CS(=O)(=O)Nc1ccc(F)c2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 11140345 | 210950 | 0 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70692 | 210950 | 0 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 10531766 | 213776 | 0 | None | -269 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| CHEMBL91415 | 213776 | 0 | None | -269 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 607 | 9 | 2 | 7 | 6.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| 137640201 | 163740 | 2 | None | -239 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4072818 | 163740 | 2 | None | -239 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 9960497 | 123853 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL3392246 | 123853 | 0 | None | -91 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| 18738412 | 212188 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 365 | 6 | 1 | 6 | 3.3 | OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL80125 | 212188 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 365 | 6 | 1 | 6 | 3.3 | OCc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| 15853467 | 214913 | 0 | None | -93 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL98063 | 214913 | 0 | None | -93 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 692 | 16 | 3 | 8 | 5.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN=[N+]=[N-])N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 151779 | 201483 | 2 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL533979 | 201483 | 2 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44420418 | 90205 | 0 | None | 13 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 474 | 4 | 1 | 6 | 4.0 | O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL219718 | 90205 | 0 | None | 13 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 474 | 4 | 1 | 6 | 4.0 | O=c1[nH]c2c(sc3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 151779 | 201483 | 2 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL533979 | 201483 | 2 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 10 | 2 | 4 | 6.3 | c1ccc2c(NCCCCCCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44431564 | 94417 | 0 | None | -34 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233623 | 94417 | 0 | None | -34 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 44300087 | 103196 | 0 | None | -67 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL262002 | 103196 | 0 | None | -67 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10530552 | 40019 | 0 | None | -51 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 3.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL141821 | 40019 | 0 | None | -51 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 3.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10745380 | 45565 | 0 | None | -309 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL146654 | 45565 | 0 | None | -309 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 132266 | 8061 | 12 | None | -5 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 486 | 8061 | 12 | None | -5 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| CHEMBL423294 | 8061 | 12 | None | -5 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 10.1021/jm960697s | |||
| 25132566 | 194102 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm800461k | |||
| CHEMBL493041 | 194102 | 0 | None | -5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm800461k | |||
| 56946472 | 78286 | 0 | None | -15 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| CHEMBL1946778 | 78286 | 0 | None | -15 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| CHEMBL1962753 | 78286 | 0 | None | -15 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 373 | 8 | 1 | 3 | 4.8 | c1ccc(OCCNCC2CCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm200421e | |||
| 9804599 | 108477 | 0 | None | -25 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 430 | 7 | 1 | 6 | 1.8 | O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL299452 | 108477 | 0 | None | -25 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 430 | 7 | 1 | 6 | 1.8 | O=c1cc[nH]c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 44298671 | 169955 | 0 | None | -19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 7 | 1.8 | COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL418112 | 169955 | 0 | None | -19 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 7 | 1.8 | COc1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 15840661 | 206241 | 0 | None | -31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 1 | 5 | 2.2 | O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL59153 | 206241 | 0 | None | -31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 1 | 5 | 2.2 | O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| 145947915 | 174509 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 6 | 1 | 6 | 2.3 | CS(=O)(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4213907 | 174509 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 6 | 1 | 6 | 2.3 | CS(=O)(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4302725 | 174509 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 6 | 1 | 6 | 2.3 | CS(=O)(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| 9985476 | 44058 | 0 | None | -1584 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145394 | 44058 | 0 | None | -1584 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 570 | 8 | 3 | 7 | 2.5 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 136806211 | 214462 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328738 | 214462 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95434 | 214462 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 650 | 14 | 4 | 7 | 5.0 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44307780 | 109114 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 5 | 0 | 8 | 3.1 | COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | |||
| CHEMBL303681 | 109114 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 431 | 5 | 0 | 8 | 3.1 | COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1 | 10.1021/jm0307741 | |||
| 10508332 | 112768 | 0 | None | -213 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | |||
| CHEMBL313160 | 112768 | 0 | None | -213 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])c(OC)c1 | 10.1021/jm980077m | |||
| 10627021 | 113872 | 0 | None | -229 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | |||
| CHEMBL315914 | 113872 | 0 | None | -229 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C)cc1 | 10.1021/jm980077m | |||
| 155517137 | 176918 | 0 | None | -11 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2OCCOC2(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4444133 | 176918 | 0 | None | -11 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNCC2OCCOC2(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.ejmech.2019.02.056 | |||
| 11857711 | 92401 | 0 | None | -8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228332 | 92401 | 0 | None | -8 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 506 | 7 | 1 | 4 | 5.5 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| 49781676 | 24644 | 0 | None | -36 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| CHEMBL1259062 | 24644 | 0 | None | -36 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2 | 10.1021/jm100652h | |||
| 10531157 | 44576 | 0 | None | -3162 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145843 | 44576 | 0 | None | -3162 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 46934791 | 23462 | 0 | None | -10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242818 | 23462 | 0 | None | -10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 134133829 | 150603 | 0 | None | -14 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 337 | 7 | 1 | 5 | 3.5 | COc1ccccc1OCCNCC1CSC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3901382 | 150603 | 0 | None | -14 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 337 | 7 | 1 | 5 | 3.5 | COc1ccccc1OCCNCC1CSC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| 10526419 | 205827 | 0 | None | -8 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.7 | COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC | 10.1021/jm000541z | |||
| CHEMBL58612 | 205827 | 0 | None | -8 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.7 | COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC | 10.1021/jm000541z | |||
| 44318081 | 170092 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL418926 | 170092 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| 44300111 | 107637 | 0 | None | -794 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL293515 | 107637 | 0 | None | -794 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10793023 | 128300 | 0 | None | -173 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(C)c1 | 10.1021/jm990200p | |||
| CHEMBL358489 | 128300 | 0 | None | -173 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 3.8 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1cccc(C)c1 | 10.1021/jm990200p | |||
| 44289026 | 173165 | 0 | None | -144 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 533 | 8 | 1 | 3 | 6.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42763 | 173165 | 0 | None | -144 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 533 | 8 | 1 | 3 | 6.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10651654 | 118260 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | |||
| CHEMBL327712 | 118260 | 0 | None | -173 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 631 | 9 | 2 | 5 | 7.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 | 10.1021/jm980077m | |||
| 71449516 | 91379 | 0 | None | -18 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153552 | 91379 | 0 | None | -18 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2221146 | 91379 | 0 | None | -18 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 11742585 | 170127 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL419164 | 170127 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O | 10.1016/s0960-894x(98)00732-x | |||
| 50985821 | 182997 | 31 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | |||
| CHEMBL4594433 | 182997 | 31 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 5 | 2 | 5 | 6.2 | N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1 | 10.1021/acs.jmedchem.2c00204 | |||
| 122295 | 16640 | 7 | None | -1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | |||
| CHEMBL114166 | 16640 | 7 | None | -1 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 3.7 | CC(C)=CCOc1ccc(Cl)c2c1CCN(C)CC2 | 10.1021/jm00019a001 | |||
| 53328314 | 70163 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 4.2 | O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796034 | 70163 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 7 | 0 | 4 | 4.2 | O=C1CC(c2ccccc2)CC(=O)N1CCCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 145949210 | 169528 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4171491 | 169528 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 459 | 5 | 2 | 9 | 2.8 | COc1cc2nc(N3CCC[C@@H](NC4=CC(=O)c5ccccc5C4=O)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 10507500 | 128472 | 0 | None | -1659 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)Cc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL358785 | 128472 | 0 | None | -1659 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 582 | 6 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OC(=O)Cc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 44288740 | 108132 | 0 | None | -117 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 437 | 8 | 1 | 3 | 4.9 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL296965 | 108132 | 0 | None | -117 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 437 | 8 | 1 | 3 | 4.9 | N#CC1(c2ccccc2)CCN(CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44288810 | 176241 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 9 | 2 | 3 | 4.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL44288 | 176241 | 0 | None | -5 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 483 | 9 | 2 | 3 | 4.5 | Cc1ccc(C(C(=O)NCCCN2CCC(C(N)=O)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 180707 | 121912 | 2 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343975 | 121912 | 2 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 10793963 | 106448 | 0 | None | -23 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL284470 | 106448 | 0 | None | -23 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 622 | 11 | 2 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 124 | 9755 | 47 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| 2032 | 9755 | 47 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| 4636 | 9755 | 47 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| CHEMBL762 | 9755 | 47 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| DB00935 | 9755 | 47 | None | -338 | 32 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 10.1021/jm960354u | |||
| 180707 | 121912 | 2 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343975 | 121912 | 2 | None | -12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 5 | 2 | 4 | 4.3 | c1ccc2c(NCCNc3ccnc4ccccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 46846073 | 12572 | 0 | None | -151 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 451 | 9 | 1 | 4 | 5.6 | c1ccc(-c2ccccc2OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1078772 | 12572 | 0 | None | -151 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 451 | 9 | 1 | 4 | 5.6 | c1ccc(-c2ccccc2OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.bmcl.2010.01.030 | |||
| 9944467 | 16023 | 0 | None | -19 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 2 | 2 | 2 | 3.4 | O=C(Nc1cccc2c1CCCC2c1c[nH]cn1)C(F)(F)F | 10.1021/jm030551a | |||
| CHEMBL110751 | 16023 | 0 | None | -19 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 309 | 2 | 2 | 2 | 3.4 | O=C(Nc1cccc2c1CCCC2c1c[nH]cn1)C(F)(F)F | 10.1021/jm030551a | |||
| CHEMBL4535474 | 220767 | 39 | None | -2 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | |||||
| 11281005 | 18615 | 0 | None | -13 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL1182191 | 18615 | 0 | None | -13 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL218079 | 18615 | 0 | None | -13 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 8 | 1 | 6 | 3.4 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| 11347303 | 118157 | 0 | None | -15 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | |||
| CHEMBL327116 | 118157 | 0 | None | -15 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 305 | 4 | 2 | 3 | 2.6 | CCS(=O)(=O)Nc1ccc2c(c1)C(c1c[nH]cn1)CCC2 | 10.1021/jm030551a | |||
| 20750645 | 109084 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 346 | 6 | 1 | 5 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL303485 | 109084 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 346 | 6 | 1 | 5 | 3.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 11519153 | 92394 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11519153 | 92394 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228278 | 92394 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228278 | 92394 | 0 | None | -3 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 514 | 9 | 1 | 6 | 4.7 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 506 | 9032 | 39 | None | -6 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 6603904 | 9032 | 39 | None | -6 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| CHEMBL19476 | 9032 | 39 | None | -6 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 10745901 | 44238 | 0 | None | -1698 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145547 | 44238 | 0 | None | -1698 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 586 | 8 | 2 | 8 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10949698 | 212066 | 0 | None | -38 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 413 | 8 | 1 | 8 | 1.9 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL79161 | 212066 | 0 | None | -38 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 413 | 8 | 1 | 8 | 1.9 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 44460477 | 212186 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 0 | 6 | 3.9 | O=C1CCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL80109 | 212186 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 7 | 0 | 6 | 3.9 | O=C1CCCN1Cc1cc(CN2CCN(c3ccccc3Oc3ccccc3)CC2)on1 | 10.1016/s0960-894x(02)00436-5 | |||
| 134149777 | 155290 | 0 | None | -37 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 7 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1CSC2(CCCCC2)S1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3938383 | 155290 | 0 | None | -37 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 7 | 1 | 5 | 4.2 | COc1ccccc1OCCNCC1CSC2(CCCCC2)S1 | 10.1016/j.ejmech.2016.09.050 | |||
| 181743 | 185351 | 5 | None | -169 | 22 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
| CHEMBL467094 | 185351 | 5 | None | -169 | 22 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | |||
| 44295192 | 108499 | 0 | None | -380 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 574 | 7 | 2 | 10 | 2.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL299539 | 108499 | 0 | None | -380 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 574 | 7 | 2 | 10 | 2.4 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3nonc3c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 10673657 | 213512 | 0 | None | -2818 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.3 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL89927 | 213512 | 0 | None | -2818 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 525 | 7 | 2 | 4 | 4.3 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| 10099811 | 127801 | 4 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL356584 | 127801 | 4 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 10745664 | 128794 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL359433 | 128794 | 0 | None | -28 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 572 | 8 | 2 | 8 | 3.3 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10371061 | 43475 | 0 | None | -1905 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL144925 | 43475 | 0 | None | -1905 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 10099811 | 127801 | 4 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL356584 | 127801 | 4 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 44288741 | 175626 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL43799 | 175626 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | |||
| 44288741 | 175626 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL43799 | 175626 | 0 | None | -45 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 3.3 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 19085921 | 111686 | 0 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 513 | 7 | 0 | 9 | 2.6 | COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL311290 | 111686 | 0 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 513 | 7 | 0 | 9 | 2.6 | COC(=O)c1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 9894818 | 105701 | 0 | None | -138 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | |||
| CHEMBL279436 | 105701 | 0 | None | -138 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm00019a001 | |||
| 10818003 | 113198 | 0 | None | -6 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | |||
| CHEMBL313953 | 113198 | 0 | None | -6 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 649 | 12 | 3 | 6 | 6.2 | CC(C)C1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C(C)C)N1 | 10.1021/jm980077m | |||
| 11090351 | 170170 | 0 | None | -13 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL419448 | 170170 | 0 | None | -13 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 136 | 10065 | 32 | None | -54 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 223 | 10065 | 32 | None | -54 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 643606 | 10065 | 32 | None | -54 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| CHEMBL10347 | 10065 | 32 | None | -54 | 16 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 10.1021/jm00018a001 | |||
| 44431553 | 94261 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233416 | 94261 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 4.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11393666 | 199765 | 0 | None | -89 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL5201983 | 199765 | 0 | None | -89 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL5222597 | 199765 | 0 | None | -89 | 19 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 4.6 | CC1(C)CN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CCN1 | 10.1016/j.bmcl.2022.128879 | |||
| 11191047 | 208596 | 0 | None | 7 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL60699 | 208596 | 0 | None | 7 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 490 | 7 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 10928161 | 11013 | 0 | None | 269 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.1 | CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL100434 | 11013 | 0 | None | 269 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.1 | CC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | |||
| 118716723 | 121795 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342876 | 121795 | 0 | None | -2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 446 | 4 | 1 | 6 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 11440679 | 204853 | 0 | None | 16 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57425 | 204853 | 0 | None | 16 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 389 | 4 | 0 | 4 | 3.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm030944+ | |||
| 10099811 | 127801 | 4 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL356584 | 127801 | 4 | None | -912 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 19085820 | 212583 | 0 | None | -2691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83226 | 212583 | 0 | None | -2691 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2cc([N+](=O)[O-])ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 132060770 | 169418 | 0 | None | -57 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| CHEMBL4169689 | 169418 | 0 | None | -57 | 10 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | |||
| 46882088 | 12599 | 0 | None | -46 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1079066 | 12599 | 0 | None | -46 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 435 | 10 | 1 | 6 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1OC | 10.1016/j.bmcl.2010.01.030 | |||
| 25132217 | 179382 | 0 | None | -13 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2CO[C@H](c3ccccc3)CO2)cc1 | 10.1021/jm800461k | |||
| CHEMBL449057 | 179382 | 0 | None | -13 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2CO[C@H](c3ccccc3)CO2)cc1 | 10.1021/jm800461k | |||
| 11346205 | 16048 | 0 | None | 8 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 268 | 4 | 3 | 5 | 0.8 | CCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1 | 10.1021/jm030551a | |||
| CHEMBL110852 | 16048 | 0 | None | 8 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 268 | 4 | 3 | 5 | 0.8 | CCS(=O)(=O)Nc1cccc(NC2=NCCN2)c1 | 10.1021/jm030551a | |||
| 44431554 | 173457 | 0 | None | -28 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL428197 | 173457 | 0 | None | -28 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11857792 | 150681 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL390192 | 150681 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.8 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 44289321 | 168747 | 0 | None | -33 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL415887 | 168747 | 0 | None | -33 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 8 | 1 | 3 | 5.1 | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44289047 | 107159 | 0 | None | -134 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.2 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL289916 | 107159 | 0 | None | -134 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.2 | Cc1ccc(C(C(=O)NCCCN2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 11994671 | 18601 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182138 | 18601 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214506 | 18601 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 10132012 | 116522 | 0 | None | -7 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 4 | 2 | 3 | 3.3 | CCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL323004 | 116522 | 0 | None | -7 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 4 | 2 | 3 | 3.3 | CCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 9796525 | 16179 | 0 | None | -7 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111584 | 16179 | 0 | None | -7 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 305 | 3 | 1 | 4 | 2.3 | Cn1cnc(C2CCCc3c(NS(C)(=O)=O)cccc32)c1 | 10.1007/s00044-004-0020-z | |||
| 9880254 | 16073 | 0 | None | -43 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 4 | 2 | 3 | 2.8 | CCS(=O)(=O)Nc1cc(F)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL110975 | 16073 | 0 | None | -43 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 4 | 2 | 3 | 2.8 | CCS(=O)(=O)Nc1cc(F)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 9798656 | 19662 | 0 | None | -24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1188902 | 19662 | 0 | None | -24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL537651 | 19662 | 0 | None | -24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 353 | 7 | 1 | 2 | 5.0 | c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 10530491 | 109382 | 0 | None | -234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 540 | 9 | 1 | 6 | 4.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| CHEMBL304132 | 109382 | 0 | None | -234 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 540 | 9 | 1 | 6 | 4.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCCCN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| 10554913 | 44120 | 0 | None | -52 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145443 | 44120 | 0 | None | -52 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 145951352 | 169539 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4171710 | 169539 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 397 | 5 | 2 | 8 | 2.2 | COc1cc2nc(N3CCC[C@@H](NC(=O)c4ccco4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 118716703 | 121774 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 4 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342856 | 121774 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 4 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 10407753 | 204535 | 1 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1 | 10.1021/jm030944+ | |||
| CHEMBL57168 | 204535 | 1 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1 | 10.1021/jm030944+ | |||
| 10626610 | 43526 | 0 | None | -371 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL144965 | 43526 | 0 | None | -371 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.2 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 118717459 | 121919 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343981 | 121919 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 9887378 | 105181 | 4 | None | -40 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL275469 | 105181 | 4 | None | -40 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 1.7 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 118717459 | 121919 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343981 | 121919 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 2247 | 7293 | 81 | None | -31 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 7293 | 81 | None | -31 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 7293 | 81 | None | -31 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 7293 | 81 | None | -31 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 7293 | 81 | None | -31 | 42 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 44431587 | 173931 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL429076 | 173931 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 565 | 8 | 1 | 6 | 4.7 | COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 9808529 | 210651 | 0 | None | -20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 587 | 10 | 2 | 9 | 3.1 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL68746 | 210651 | 0 | None | -20 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 587 | 10 | 2 | 9 | 3.1 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 145947248 | 174413 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4214419 | 174413 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4301553 | 174413 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1ccc2c(c1)S(=O)(=O)CCC2NCCOc1cc(F)ccc1F | 10.1016/j.ejmech.2017.07.071 | |||
| 53328315 | 70164 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796035 | 70164 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 134137025 | 149516 | 0 | None | -7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3892434 | 149516 | 0 | None | -7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 4 | 0 | 5 | 3.6 | COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1 | 10.1016/j.ejmech.2016.09.050 | |||
| 44328654 | 113962 | 0 | None | -100 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL316495 | 113962 | 0 | None | -100 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 663 | 14 | 3 | 6 | 6.7 | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328739 | 214430 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 691 | 16 | 3 | 6 | 7.5 | CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95263 | 214430 | 0 | None | -3 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 691 | 16 | 3 | 6 | 7.5 | CCCCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 10674896 | 213423 | 0 | None | -208 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | |||
| CHEMBL89243 | 213423 | 0 | None | -208 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 588 | 9 | 2 | 6 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(C#N)cc1 | 10.1021/jm980077m | |||
| 44361064 | 38389 | 0 | None | -14 | 6 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | |||
| CHEMBL140450 | 38389 | 0 | None | -14 | 6 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | |||
| 9816461 | 17491 | 7 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL117094 | 17491 | 7 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL544290 | 17491 | 7 | None | -6 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 253 | 4 | 2 | 5 | 0.5 | CS(=O)(=O)c1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 10364538 | 11158 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL101322 | 11158 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL1204312 | 11158 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 5 | 1 | 6 | 2.5 | CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| 11784634 | 43288 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 10 | 2 | 8 | 3.7 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | |||
| CHEMBL144779 | 43288 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 10 | 2 | 8 | 3.7 | COc1cc2nc3c(c(O)c2cc1OC)CCC(CNCCOc1c(OC)cccc1OC)C3 | 10.1021/jm030952q | |||
| 53328313 | 70161 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796032 | 70161 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 56946575 | 78302 | 0 | None | -37 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 8 | 1 | 3 | 4.6 | O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | |||
| CHEMBL1946781 | 78302 | 0 | None | -37 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 8 | 1 | 3 | 4.6 | O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | |||
| CHEMBL1962871 | 78302 | 0 | None | -37 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 385 | 8 | 1 | 3 | 4.6 | O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | |||
| 59151610 | 146637 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1Cl | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799219 | 146637 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 295 | 3 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccc1Cl | 10.1021/acs.jmedchem.5b01528 | |||
| 44299974 | 108671 | 0 | None | -89 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL300821 | 108671 | 0 | None | -89 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10516365 | 66221 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 272 | 3 | 1 | 3 | 3.0 | COC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | |||
| CHEMBL171196 | 66221 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 272 | 3 | 1 | 3 | 3.0 | COC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | |||
| CHEMBL1744266 | 66221 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 272 | 3 | 1 | 3 | 3.0 | COC(c1c[nH]cn1)c1sccc1Br | 10.1021/jm0003891 | |||
| 11431037 | 107715 | 0 | None | 20 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL294023 | 107715 | 0 | None | 20 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 4 | 0 | 4 | 4.2 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 10342554 | 111559 | 0 | None | -33 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 428 | 7 | 0 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL310890 | 111559 | 0 | None | -33 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 428 | 7 | 0 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| 46934787 | 23458 | 0 | None | -13 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242724 | 23458 | 0 | None | -13 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 7 | 0 | 7 | 2.2 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 118716709 | 121781 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342862 | 121781 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C4CCCCC4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 10556164 | 128474 | 0 | None | -977 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 572 | 8 | 3 | 6 | 3.1 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL358795 | 128474 | 0 | None | -977 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 572 | 8 | 3 | 6 | 3.1 | CC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1cc(F)c(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL4520788 | 220754 | 10 | None | -18 | 25 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | 10.6019/CHEMBL5212743 | |||||
| 44390749 | 70684 | 0 | None | -213 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL180561 | 70684 | 0 | None | -213 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 10603727 | 44464 | 0 | None | -331 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 606 | 10 | 3 | 8 | 3.4 | CCC1=C(C(=O)NC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL145752 | 44464 | 0 | None | -331 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 606 | 10 | 3 | 8 | 3.4 | CCC1=C(C(=O)NC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 9894818 | 105701 | 0 | None | -138 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL279436 | 105701 | 0 | None | -138 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 44390749 | 70684 | 0 | None | -213 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm960697s | |||
| CHEMBL180561 | 70684 | 0 | None | -213 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 11 | 3 | 6 | 5.3 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm960697s | |||
| 46934643 | 23449 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242632 | 23449 | 0 | None | -6 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 479 | 7 | 0 | 6 | 3.5 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 90645600 | 119210 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 640 | 12 | 2 | 9 | 4.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298018 | 119210 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 640 | 12 | 2 | 9 | 4.6 | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(sc4ccc(NC(=O)CCCN(C)Cc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 3033538 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 7155 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 781 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| CHEMBL1201216 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| DB00298 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | nan | |||
| 11857862 | 148832 | 0 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL387833 | 148832 | 0 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 10624665 | 107108 | 0 | None | -1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL289437 | 107108 | 0 | None | -1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 482 | 4 | 1 | 7 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5c(Cl)ccnc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 10974101 | 123731 | 0 | None | -26 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| CHEMBL338608 | 123731 | 0 | None | -26 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 609 | 10 | 1 | 9 | 4.2 | Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCN(c4ccccc4OCc4no[n+]([O-])c4C)CC3)cccc2c1=O | 10.1021/jm030825u | |||
| 49832187 | 174362 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4213993 | 174362 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4300720 | 174362 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| 12840734 | 107706 | 3 | None | 8 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL293968 | 107706 | 3 | None | 8 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1 | 10.1021/jm030944+ | |||
| 11123606 | 212214 | 0 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80260 | 212214 | 0 | None | -2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 475 | 9 | 1 | 8 | 3.3 | COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 155544514 | 183134 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4526865 | 183134 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595671 | 183134 | 0 | None | -1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 10743111 | 205474 | 0 | None | 1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL58105 | 205474 | 0 | None | 1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 4.1 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(-c5ccccc5)sc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 10091187 | 85599 | 1 | None | -21 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 4.6 | COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 | 10.1021/jm010866v | |||
| CHEMBL2112779 | 85599 | 1 | None | -21 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 5 | 0 | 4 | 4.6 | COc1cccc(C2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 | 10.1021/jm010866v | |||
| 3251 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | |||
| 5684 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | |||
| 80 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL31354 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2010.05.023 | |||
| 3251 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | |||
| 5684 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | |||
| 80 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL31354 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.05.024 | |||
| 3251 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | |||
| 5684 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | |||
| 80 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL31354 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2019.02.056 | |||
| 134150497 | 158871 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 324 | 6 | 0 | 3 | 3.8 | CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| CHEMBL3967641 | 158871 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 324 | 6 | 0 | 3 | 3.8 | CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1 | 10.1016/j.ejmech.2016.06.052 | |||
| 3251 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | |||
| 5684 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | |||
| 80 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | |||
| CHEMBL31354 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1021/jm200421e | |||
| 11109088 | 210959 | 0 | None | 3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70751 | 210959 | 0 | None | 3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 255 | 4 | 2 | 4 | 2.5 | CSc1ccc(Cl)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 118716700 | 121771 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 6 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342853 | 121771 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 437 | 6 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44288392 | 107145 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 4.4 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL289758 | 107145 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 6 | 1 | 6 | 4.4 | COc1cccc2c1CCC1CN(CCCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 46934945 | 23470 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242912 | 23470 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 533 | 7 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3C(=O)CC4(CCCC4)CC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 76323010 | 113025 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261606 | 113025 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138929 | 113025 | 0 | None | -5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 16721032 | 98963 | 0 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242507 | 98963 | 0 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 3.4 | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 44431554 | 95118 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234874 | 95118 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.0 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 57929612 | 146856 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3800506 | 146856 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1cc(Cl)cc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 16041630 | 104323 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL270589 | 104323 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 11049209 | 214184 | 0 | None | -9 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 4.4 | Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL93923 | 214184 | 0 | None | -9 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 486 | 6 | 1 | 5 | 4.4 | Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 2389 | 10104 | 118 | None | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 5073 | 10104 | 118 | None | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 96 | 10104 | 118 | None | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| CHEMBL85 | 10104 | 118 | None | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| DB00734 | 10104 | 118 | None | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | |||
| 289 | 7030 | 12 | None | -3 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | |||
| 9948320 | 7030 | 12 | None | -3 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | |||
| CHEMBL1242950 | 7030 | 12 | None | -3 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | |||
| 11857638 | 148933 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857638 | 148933 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL388361 | 148933 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL388361 | 148933 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 5.0 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 10674840 | 210495 | 0 | None | -50 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL67648 | 210495 | 0 | None | -50 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 10507357 | 210715 | 0 | None | -58 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 574 | 10 | 1 | 7 | 4.0 | COC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1 | 10.1021/jm9905918 | |||
| CHEMBL69245 | 210715 | 0 | None | -58 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 574 | 10 | 1 | 7 | 4.0 | COC(CNC(=O)c1ccc2c(c1)C(=O)N(c1cccc(F)c1)C2=O)CN1CCN(c2ccccc2OC(C)C)CC1 | 10.1021/jm9905918 | |||
| 19085866 | 112194 | 0 | None | -338 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 6 | 0 | 7 | 2.9 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL311890 | 112194 | 0 | None | -338 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 6 | 0 | 7 | 2.9 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 10627003 | 211119 | 0 | None | -53 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL71580 | 211119 | 0 | None | -53 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 1353 | 8692 | 93 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 3559 | 8692 | 93 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 86 | 8692 | 93 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| CHEMBL54 | 8692 | 93 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| DB00502 | 8692 | 93 | None | -10 | 85 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | |||
| 135 | 9310 | 43 | None | -10 | 56 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 1796 | 9310 | 43 | None | -10 | 56 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 4184 | 9310 | 43 | None | -10 | 56 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| CHEMBL6437 | 9310 | 43 | None | -10 | 56 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| DB06148 | 9310 | 43 | None | -10 | 56 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | |||
| 3168 | 16034 | 92 | None | -29 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| CHEMBL1108 | 16034 | 92 | None | -29 | 22 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | nan | |||
| 3000341 | 208310 | 13 | None | 11 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 4 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.9b01465 | |||
| CHEMBL60533 | 208310 | 13 | None | 11 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 4 | 3.8 | CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC | 10.1021/acs.jmedchem.9b01465 | |||
| 10744391 | 214142 | 0 | None | -37 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL93693 | 214142 | 0 | None | -37 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 4.8 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)N(C)C(=O)N1C | 10.1021/jm990612y | |||
| 44435200 | 156454 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL394755 | 156454 | 0 | None | -2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| 44301573 | 209576 | 0 | None | -416 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 535 | 7 | 1 | 5 | 4.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL62249 | 209576 | 0 | None | -416 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 535 | 7 | 1 | 5 | 4.6 | Cc1ccc(C2(c3ccc(C)cc3)CC(=O)N(CC(O)CN3CCC(C#N)(c4ccccc4C)CC3)C2=O)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 44318000 | 212176 | 0 | None | -51 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 480 | 7 | 0 | 7 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL80036 | 212176 | 0 | None | -51 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 480 | 7 | 0 | 7 | 4.0 | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| 44417706 | 18607 | 0 | None | -12 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182152 | 18607 | 0 | None | -12 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| CHEMBL215188 | 18607 | 0 | None | -12 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 8 | 1 | 6 | 3.7 | COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 | 10.1021/jm060358r | |||
| 118716712 | 121784 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 4 | 0 | 6 | 2.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342865 | 121784 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 4 | 0 | 6 | 2.1 | COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44311789 | 211514 | 0 | None | -3 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL74342 | 211514 | 0 | None | -3 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 345 | 1 | 2 | 5 | 3.1 | Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 44328920 | 115418 | 0 | None | -36 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL320736 | 115418 | 0 | None | -36 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 705 | 14 | 3 | 7 | 5.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCC(F)(F)F)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 71061709 | 156306 | 0 | None | -28 | 12 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | |||
| CHEMBL3946540 | 156306 | 0 | None | -28 | 12 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 6 | 0 | 4 | 3.5 | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | |||
| 118716701 | 121772 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 1.5 | COc1ccccc1N1CCN(CC2COC3(CC[S+]([O-])CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342854 | 121772 | 0 | None | 2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 4 | 0 | 6 | 1.5 | COc1ccccc1N1CCN(CC2COC3(CC[S+]([O-])CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 59151668 | 146852 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.2 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccn1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3800485 | 146852 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 262 | 3 | 2 | 4 | 1.2 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccccn1 | 10.1021/acs.jmedchem.5b01528 | |||
| 44295046 | 108710 | 0 | None | -380 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 8 | 2 | 9 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL301077 | 108710 | 0 | None | -380 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 577 | 8 | 2 | 9 | 2.8 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 44295218 | 195881 | 0 | None | -27 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL51019 | 195881 | 0 | None | -27 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 582 | 8 | 2 | 7 | 3.5 | COC(=O)C1(c2ccccc2)CCN(CCCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 9916549 | 128342 | 0 | None | -1023 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL358595 | 128342 | 0 | None | -1023 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 101333429 | 123854 | 0 | None | -1071 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | |||
| CHEMBL3392247 | 123854 | 0 | None | -1071 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1 | 10.1021/jm00019a001 | |||
| 11312410 | 15674 | 0 | None | -9 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL109755 | 15674 | 0 | None | -9 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 11312410 | 15674 | 0 | None | -9 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| CHEMBL109755 | 15674 | 0 | None | -9 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 293 | 3 | 2 | 4 | 1.5 | CS(=O)(=O)Nc1cccc2c1CCCC2C1=NCCN1 | 10.1021/jm030551a | |||
| 11201573 | 204436 | 0 | None | 3 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 5 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57097 | 204436 | 0 | None | 3 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 5 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 53328312 | 70160 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796031 | 70160 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 3.8 | O=C1CC(c2ccccc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 25130879 | 180016 | 0 | None | -10 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | |||
| CHEMBL452437 | 180016 | 0 | None | -10 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm800461k | |||
| 9959689 | 108590 | 0 | None | -281 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL300222 | 108590 | 0 | None | -281 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 568 | 7 | 2 | 7 | 3.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 136806212 | 214511 | 0 | None | -114 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328639 | 214511 | 0 | None | -114 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95736 | 214511 | 0 | None | -114 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 13 | 4 | 7 | 4.6 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 10626982 | 118272 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL327775 | 118272 | 0 | None | -7 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 575 | 9 | 2 | 6 | 5.9 | CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 44361064 | 38389 | 0 | None | -16 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | |||
| CHEMBL140450 | 38389 | 0 | None | -16 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 338 | 7 | 2 | 4 | 4.5 | N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1 | 10.1021/jm960510x | |||
| 44420419 | 90206 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 485 | 4 | 0 | 7 | 3.3 | Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL219719 | 90206 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 485 | 4 | 0 | 7 | 3.3 | Cn1c(=O)n(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)c2c1c1ccccc1n2C | 10.1016/j.bmcl.2006.09.034 | |||
| 3198 | 212292 | 76 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1201049 | 212292 | 76 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL808 | 212292 | 76 | None | -30 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 44431615 | 94813 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 8 | 1 | 5 | 4.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234476 | 94813 | 0 | None | -1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 8 | 1 | 5 | 4.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.008 | |||
| 11857793 | 92433 | 0 | None | -9 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228494 | 92433 | 0 | None | -9 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 5.9 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cc(Cl)ccc1F | 10.1016/j.bmcl.2007.04.098 | |||
| 44316072 | 211795 | 0 | None | -4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| CHEMBL76867 | 211795 | 0 | None | -4 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| 10031709 | 44085 | 0 | None | -4365 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 613 | 10 | 0 | 5 | 8.1 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145411 | 44085 | 0 | None | -4365 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 613 | 10 | 0 | 5 | 8.1 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10371061 | 43475 | 0 | None | -1905 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL144925 | 43475 | 0 | None | -1905 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 583 | 9 | 3 | 6 | 3.5 | CCC1=C(C(N)=O)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 10793665 | 113729 | 0 | None | -251 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | |||
| CHEMBL314960 | 113729 | 0 | None | -251 | 6 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 597 | 9 | 2 | 5 | 7.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)cc1 | 10.1021/jm980077m | |||
| 44275255 | 105380 | 0 | None | -354 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 12 | 2 | 7 | 7.2 | CCC1=NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)OC | 10.1021/jm960697s | |||
| CHEMBL276932 | 105380 | 0 | None | -354 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 636 | 12 | 2 | 7 | 7.2 | CCC1=NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)OC | 10.1021/jm960697s | |||
| 10221830 | 16193 | 0 | None | -1 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.7 | CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111685 | 16193 | 0 | None | -1 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.7 | CCS(=O)(=O)Nc1cc(C2CCCCC2)cc2c1CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 136680385 | 214429 | 0 | None | -147 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328824 | 214429 | 0 | None | -147 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95253 | 214429 | 0 | None | -147 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 694 | 16 | 4 | 8 | 4.9 | CCNC(=O)C1=C(COCCN)NC(CC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 135398745 | 9688 | 112 | None | -24 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 47 | 9688 | 112 | None | -24 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| CHEMBL715 | 9688 | 112 | None | -24 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| DB00334 | 9688 | 112 | None | -24 | 65 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | nan | |||
| 2142 | 9870 | 58 | None | -12 | 37 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| 4920903 | 9870 | 58 | None | -12 | 37 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| 502 | 9870 | 58 | None | -12 | 37 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| 5775 | 9870 | 58 | None | -12 | 37 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| CHEMBL597 | 9870 | 58 | None | -12 | 37 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| DB00692 | 9870 | 58 | None | -12 | 37 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/jm020938y | |||
| 53328311 | 70159 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 7 | 0 | 5 | 3.1 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796030 | 70159 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 7 | 0 | 5 | 3.1 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 44267817 | 170029 | 0 | None | -53 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 420 | 8 | 1 | 5 | 1.9 | CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL418531 | 170029 | 0 | None | -53 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 420 | 8 | 1 | 5 | 1.9 | CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 53315878 | 99730 | 66 | None | -100 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 546 | 10 | 1 | 8 | 5.0 | COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 | 10.1021/jm401480r | |||
| CHEMBL2441082 | 99730 | 66 | None | -100 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 546 | 10 | 1 | 8 | 5.0 | COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 | 10.1021/jm401480r | |||
| 53315878 | 99730 | 66 | None | -100 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 546 | 10 | 1 | 8 | 5.0 | COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL2441082 | 99730 | 66 | None | -100 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 546 | 10 | 1 | 8 | 5.0 | COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 | 10.6019/CHEMBL5212743 | |||
| 44329026 | 215204 | 0 | None | -89 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL99864 | 215204 | 0 | None | -89 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 679 | 16 | 3 | 7 | 6.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCCOC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 10507651 | 213286 | 0 | None | -51 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| CHEMBL88388 | 213286 | 0 | None | -51 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 591 | 9 | 2 | 6 | 5.8 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2c(c1)OCO2 | 10.1021/jm980077m | |||
| 42 | 8844 | 57 | None | -8 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | |||
| 56971 | 8844 | 57 | None | -8 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL8412 | 8844 | 57 | None | -8 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 401 | 6 | 0 | 7 | 1.2 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 | 10.1016/s0960-894x(98)00451-x | |||
| 44431617 | 95117 | 0 | None | -9 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234854 | 95117 | 0 | None | -9 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 16041263 | 102222 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257098 | 102222 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 11154311 | 107500 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 2.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2F)CC1 | 10.1021/jm030944+ | |||
| CHEMBL292637 | 107500 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 2.6 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2F)CC1 | 10.1021/jm030944+ | |||
| 127035062 | 143229 | 0 | None | -16 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | |||
| CHEMBL3735756 | 143229 | 0 | None | -16 | 19 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 447 | 12 | 0 | 5 | 5.2 | COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC | 10.1039/C4MD00418C | |||
| 9895326 | 213806 | 0 | None | -436 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | |||
| CHEMBL91550 | 213806 | 0 | None | -436 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 621 | 12 | 3 | 6 | 5.7 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | 10.1021/jm980077m | |||
| 11857710 | 92395 | 0 | None | -10 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228279 | 92395 | 0 | None | -10 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 518 | 8 | 1 | 5 | 5.4 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 18738384 | 171156 | 0 | None | -25 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL421297 | 171156 | 0 | None | -25 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 441 | 7 | 0 | 5 | 4.8 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 44288469 | 168469 | 0 | None | -1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL41332 | 168469 | 0 | None | -1 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)CCC1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 2337 | 10030 | 77 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 50 | 10030 | 77 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 5002 | 10030 | 77 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| CHEMBL716 | 10030 | 77 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| DB01224 | 10030 | 77 | None | -2 | 62 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | |||
| 2351 | 10059 | 64 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 2820 | 10059 | 64 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 5035 | 10059 | 64 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| CHEMBL81 | 10059 | 64 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| DB00481 | 10059 | 64 | None | -8 | 21 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | nan | |||
| 11034737 | 211307 | 0 | None | -2 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL72724 | 211307 | 0 | None | -2 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 289 | 4 | 2 | 4 | 2.8 | CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 101876962 | 121916 | 0 | None | -66 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343979 | 121916 | 0 | None | -66 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 118717458 | 121918 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343980 | 121918 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 9880162 | 16074 | 0 | None | 1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL110976 | 16074 | 0 | None | 1 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 4 | 2 | 4 | 2.3 | COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 10221005 | 211101 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| CHEMBL71479 | 211101 | 0 | None | -6 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 267 | 4 | 2 | 5 | 0.8 | Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| 101876962 | 121916 | 0 | None | -66 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343979 | 121916 | 0 | None | -66 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 118717458 | 121918 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343980 | 121918 | 0 | None | -3 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 44431614 | 94812 | 0 | None | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 533 | 9 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234474 | 94812 | 0 | None | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 533 | 9 | 1 | 6 | 4.5 | COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OCC3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 145950240 | 169480 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| CHEMBL4170675 | 169480 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 5 | 2 | 9 | 2.2 | COc1cc2nc(N3CCC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC | 10.1016/j.ejmech.2017.05.003 | |||
| 10626772 | 43010 | 0 | None | -1202 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1 | 10.1021/jm9902032 | |||
| CHEMBL144534 | 43010 | 0 | None | -1202 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=NC(C)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1CCCCCN1CCC(C#N)(c2ccccc2)CC1 | 10.1021/jm9902032 | |||
| 10029146 | 212470 | 0 | None | -933 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| CHEMBL82267 | 212470 | 0 | None | -933 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.9 | CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 | 10.1016/s0960-894x(98)00451-x | |||
| 10578735 | 127898 | 0 | None | -33 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL357439 | 127898 | 0 | None | -33 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 557 | 8 | 2 | 7 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10840177 | 44890 | 0 | None | -954 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL146109 | 44890 | 0 | None | -954 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.6 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 44301681 | 209473 | 0 | None | -831 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 481 | 8 | 2 | 4 | 4.6 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL61643 | 209473 | 0 | None | -831 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 481 | 8 | 2 | 4 | 4.6 | Cc1ccc(C(O)(C(=O)NCCCN2CCC(C#N)(c3ccccc3)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(01)00320-1 | |||
| 10841190 | 113819 | 0 | None | -69 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | |||
| CHEMBL315538 | 113819 | 0 | None | -69 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.5 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC)cc1 | 10.1021/jm980077m | |||
| 118717455 | 121913 | 0 | None | -25 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343976 | 121913 | 0 | None | -25 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 118717460 | 121920 | 0 | None | -9 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343982 | 121920 | 0 | None | -9 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 11857861 | 92451 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857861 | 92451 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228606 | 92451 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228606 | 92451 | 0 | None | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 9883506 | 77339 | 0 | None | -3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | |||
| CHEMBL194849 | 77339 | 0 | None | -3 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 282 | 3 | 3 | 5 | 2.3 | Cc1ccc(N(NC2=NCCN2)c2cccc(O)c2)cc1 | 10.1016/j.bmcl.2005.07.083 | |||
| 118717455 | 121913 | 0 | None | -25 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343976 | 121913 | 0 | None | -25 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 5 | 2 | 4 | 4.9 | Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 118717460 | 121920 | 0 | None | -9 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343982 | 121920 | 0 | None | -9 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 412 | 10 | 2 | 4 | 6.9 | Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1 | 10.1016/j.bmc.2014.09.017 | |||
| 10529370 | 213718 | 0 | None | -1122 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| CHEMBL91125 | 213718 | 0 | None | -1122 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 5 | 3.0 | COCC1=C(C(=O)NCCCN2CCC(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1 | 10.1021/jm990612y | |||
| 46915370 | 61741 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | |||
| CHEMBL1241328 | 61741 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | |||
| CHEMBL1615596 | 61741 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 195 | 0 | 3 | 5 | -1.6 | Cn1c(=O)[nH]c2c([nH]c(=O)n2C)c1=N | 10.1021/jm100490m | |||
| 102 | 10899 | 48 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 3659 | 10899 | 48 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 8969 | 10899 | 48 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| CHEMBL15245 | 10899 | 48 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| DB01392 | 10899 | 48 | None | -363 | 49 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | nan | |||
| 44431574 | 94577 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233814 | 94577 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 3251 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | |||
| 5684 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | |||
| 80 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | |||
| CHEMBL31354 | 10844 | 58 | None | -15 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 | 10.1016/j.ejmech.2011.06.023 | |||
| 11097789 | 109775 | 1 | None | 3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL306792 | 109775 | 1 | None | 3 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1cc(F)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 90645602 | 119212 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 553 | 7 | 1 | 8 | 5.0 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298020 | 119212 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 553 | 7 | 1 | 8 | 5.0 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)c5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 155562125 | 183122 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4582160 | 183122 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595563 | 183122 | 0 | None | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.4 | c1ccc(OCCNCC2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 44298611 | 107429 | 0 | None | -125 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 440 | 7 | 1 | 6 | 2.3 | Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL292189 | 107429 | 0 | None | -125 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 440 | 7 | 1 | 6 | 2.3 | Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C | 10.1016/s0960-894x(03)00305-6 | |||
| 44431562 | 96058 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL236832 | 96058 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | |||
| 145962368 | 168236 | 0 | None | -16 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@H]3CCCC[C@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4127483 | 168236 | 0 | None | -16 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 521 | 9 | 0 | 8 | 5.1 | CCCN(CCC)c1nc(N2CCN(C(=O)c3ccco3)[C@H]3CCCC[C@H]32)nc2cc(OC)c(OC)cc12 | 10.1016/j.bmc.2018.05.023 | |||
| 44431545 | 151798 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391107 | 151798 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 52948119 | 23438 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242445 | 23438 | 0 | None | 2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 2.7 | COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 11235558 | 203954 | 0 | None | 5 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56805 | 203954 | 0 | None | 5 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.5 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C(F)(F)F)CC1 | 10.1021/jm030944+ | |||
| 10917316 | 212266 | 0 | None | -10 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 8 | 1 | 8 | 2.6 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL80599 | 212266 | 0 | None | -10 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 8 | 1 | 8 | 2.6 | COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 11350756 | 202987 | 0 | None | 3 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL56150 | 202987 | 0 | None | 3 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 423 | 4 | 0 | 4 | 3.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm030944+ | |||
| 44299973 | 204231 | 0 | None | -6 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL56974 | 204231 | 0 | None | -6 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10582624 | 209571 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 1 | 7 | 1.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| CHEMBL62206 | 209571 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 1 | 7 | 1.2 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21 | 10.1021/jm000541z | |||
| 90645604 | 119214 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| CHEMBL3298022 | 119214 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 652 | 12 | 2 | 9 | 5.2 | COc1ccccc1N1CCN(CCn2c(C)nc3c(sc4ccc(NC(=O)CCCC(=O)NCc5ccccc5)cc43)c2=O)CC1 | 10.1016/j.ejmech.2014.06.057 | |||
| 44431617 | 151679 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391016 | 151679 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.3 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11857861 | 201559 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL538397 | 201559 | 0 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11338314 | 178149 | 0 | None | 4 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1 | 10.1021/jm0491391 | |||
| CHEMBL446180 | 178149 | 0 | None | 4 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)cc2F)CC1 | 10.1021/jm0491391 | |||
| 155526629 | 183177 | 0 | None | -11 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4458714 | 183177 | 0 | None | -11 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595984 | 183177 | 0 | None | -11 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | COc1ccccc1OCCNCCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 56945164 | 78289 | 0 | None | -17 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | |||
| CHEMBL1946786 | 78289 | 0 | None | -17 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | |||
| CHEMBL1962756 | 78289 | 0 | None | -17 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 417 | 9 | 2 | 4 | 4.4 | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O | 10.1021/jm200421e | |||
| 118716717 | 121789 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342870 | 121789 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 532 | 7 | 0 | 9 | 2.3 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44288162 | 175778 | 0 | None | 2 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | |||
| CHEMBL43921 | 175778 | 0 | None | 2 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1ccc2c(c1)C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | |||
| 155513941 | 183057 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4439658 | 183057 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4595078 | 183057 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 407 | 12 | 2 | 5 | 3.8 | COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 11857794 | 92434 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228496 | 92434 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | |||
| 10917920 | 118223 | 0 | None | -7 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL327527 | 118223 | 0 | None | -7 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 49781678 | 24650 | 0 | None | -7 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1 | 10.1021/jm100652h | |||
| CHEMBL1259079 | 24650 | 0 | None | -7 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1 | 10.1021/jm100652h | |||
| 10474042 | 177032 | 0 | None | -30 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 4.1 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 | 10.1021/jm010866v | |||
| CHEMBL444590 | 177032 | 0 | None | -30 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 6 | 0 | 4 | 4.1 | COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 | 10.1021/jm010866v | |||
| 11145007 | 170872 | 0 | None | -4 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 9 | 1 | 8 | 3.0 | COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| CHEMBL420959 | 170872 | 0 | None | -4 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 9 | 1 | 8 | 3.0 | COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 | 10.1021/jm0009336 | |||
| 506 | 9032 | 39 | None | -9 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 6603904 | 9032 | 39 | None | -9 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| CHEMBL19476 | 9032 | 39 | None | -9 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 522 | 6 | 2 | 9 | 3.0 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1 | 10.1021/jm980053f | |||
| 46881444 | 14387 | 0 | None | -6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.5 | COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1088072 | 14387 | 0 | None | -6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.5 | COc1ccccc1CCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 44298734 | 203487 | 0 | None | -31 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL56489 | 203487 | 0 | None | -31 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1 | 10.1016/s0960-894x(03)00305-6 | |||
| 44300129 | 174207 | 0 | None | -1318 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL429697 | 174207 | 0 | None | -1318 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10603951 | 213295 | 0 | None | -24 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL88448 | 213295 | 0 | None | -24 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 622 | 10 | 1 | 7 | 6.8 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)N(C)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 11196451 | 174844 | 0 | None | 1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 268 | 5 | 2 | 3 | 1.7 | CCS(=O)(=O)Nc1cccc(CC2CCCN2)c1 | 10.1021/jm030551a | |||
| CHEMBL432451 | 174844 | 0 | None | 1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 268 | 5 | 2 | 3 | 1.7 | CCS(=O)(=O)Nc1cccc(CC2CCCN2)c1 | 10.1021/jm030551a | |||
| 15675860 | 211208 | 0 | None | -67 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL72147 | 211208 | 0 | None | -67 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.1 | Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 | 10.1016/0960-894X(95)00391-6 | |||
| 44312036 | 211344 | 1 | None | -7 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL72995 | 211344 | 1 | None | -7 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 305 | 1 | 2 | 5 | 2.2 | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 | 10.1016/0960-894X(95)00391-6 | |||
| 9888164 | 24723 | 1 | None | -25 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12603 | 24723 | 1 | None | -25 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 416 | 8 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 10770057 | 108849 | 0 | None | -42 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 610 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL302092 | 108849 | 0 | None | -42 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 610 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 10626911 | 108997 | 0 | None | -66 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| CHEMBL302940 | 108997 | 0 | None | -66 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| 53328685 | 70173 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 435 | 7 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796044 | 70173 | 0 | None | -5 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 435 | 7 | 0 | 5 | 3.3 | COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 118716702 | 121773 | 0 | None | -5 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 4 | 0 | 7 | 1.1 | COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342855 | 121773 | 0 | None | -5 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 4 | 0 | 7 | 1.1 | COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 9851486 | 213478 | 0 | None | -436 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL89685 | 213478 | 0 | None | -436 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 592 | 10 | 2 | 6 | 6.0 | CC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 10032383 | 116887 | 0 | None | -812 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136680387 | 116887 | 0 | None | -812 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL323579 | 116887 | 0 | None | -812 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 102 | 10899 | 48 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 3659 | 10899 | 48 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 8969 | 10899 | 48 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| CHEMBL15245 | 10899 | 48 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| DB01392 | 10899 | 48 | None | -48 | 49 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | 10.1021/jm00018a001 | |||
| 11801214 | 108998 | 0 | None | -25 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| CHEMBL302942 | 108998 | 0 | None | -25 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NC[C@@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| 9894665 | 110590 | 1 | None | -158 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL309106 | 110590 | 1 | None | -158 | 8 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 585 | 10 | 2 | 8 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 44316098 | 175945 | 0 | None | -14 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| CHEMBL440499 | 175945 | 0 | None | -14 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 7 | 0 | 6 | 3.0 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 | 10.1016/s0960-894x(00)00472-8 | |||
| 180 | 7189 | 56 | None | -23 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 200 | 7189 | 56 | None | -23 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 2160 | 7189 | 56 | None | -23 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| CHEMBL629 | 7189 | 56 | None | -23 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| DB00321 | 7189 | 56 | None | -23 | 40 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | |||
| 25025053 | 146737 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799783 | 146737 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 339 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 16041629 | 102221 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL257097 | 102221 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 11092112 | 214407 | 0 | None | -93 | 9 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 485 | 6 | 0 | 6 | 4.9 | O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | |||
| CHEMBL95175 | 214407 | 0 | None | -93 | 9 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 485 | 6 | 0 | 6 | 4.9 | O=C1OCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1 | 10.1021/jm020938y | |||
| 10698141 | 40599 | 0 | None | -66 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL142307 | 40599 | 0 | None | -66 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 561 | 7 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 3151 | 8244 | 97 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 945 | 8244 | 97 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 965 | 8244 | 97 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| CHEMBL219916 | 8244 | 97 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| DB01184 | 8244 | 97 | None | -77 | 26 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | nan | |||
| 10841819 | 125532 | 0 | None | -691 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 640 | 7 | 1 | 8 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL341838 | 125532 | 0 | None | -691 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 640 | 7 | 1 | 8 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 2477 | 7532 | 59 | None | -8 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| 36 | 7532 | 59 | None | -8 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| 437 | 7532 | 59 | None | -8 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| CHEMBL49 | 7532 | 59 | None | -8 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| DB00490 | 7532 | 59 | None | -8 | 29 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | nan | |||
| 11857864 | 151027 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL390473 | 151027 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4cc(F)ccc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 277 | 8083 | 62 | None | -42 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 2913 | 8083 | 62 | None | -42 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 765 | 8083 | 62 | None | -42 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| CHEMBL516 | 8083 | 62 | None | -42 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| DB00434 | 8083 | 62 | None | -42 | 50 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | |||
| 44331136 | 116458 | 0 | None | -4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.8 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL322688 | 116458 | 0 | None | -4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 540 | 7 | 1 | 5 | 5.8 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 | 10.1016/s0960-894x(98)00732-x | |||
| 53328684 | 70172 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 480 | 9 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796043 | 70172 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 480 | 9 | 0 | 7 | 3.4 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 155521817 | 177421 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 368 | 5 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(C[C@H]2OCCO[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4451283 | 177421 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 368 | 5 | 0 | 5 | 3.0 | COc1ccccc1N1CCN(C[C@H]2OCCO[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| 11994669 | 18602 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182141 | 18602 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL214552 | 18602 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 4.2 | COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 448537 | 167029 | 89 | None | -33 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| CHEMBL411 | 167029 | 89 | None | -33 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | nan | |||
| 12488 | 8438 | 56 | None | -10 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 941361 | 8438 | 56 | None | -10 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| CHEMBL30008 | 8438 | 56 | None | -10 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| DB04841 | 8438 | 56 | None | -10 | 23 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | nan | |||
| 44267890 | 23279 | 0 | None | -41 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 2.0 | O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12364 | 23279 | 0 | None | -41 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 2.0 | O=C(CN1CCCCC1=O)NCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 9809007 | 179343 | 8 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL448620 | 179343 | 8 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 2162 | 48288 | 100 | None | -4 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL1491 | 48288 | 100 | None | -4 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1016/s0960-894x(99)00484-9 | |||
| 10580182 | 44247 | 0 | None | -3162 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 658 | 7 | 1 | 8 | 4.0 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL145553 | 44247 | 0 | None | -3162 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 658 | 7 | 1 | 8 | 4.0 | COCC1=C(C(=O)OC)C(c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 10792897 | 174693 | 0 | None | -186 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| CHEMBL431362 | 174693 | 0 | None | -186 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NC[C@H](O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| 59151651 | 146628 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 289 | 5 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1CCCc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799155 | 146628 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 289 | 5 | 2 | 3 | 2.4 | N=c1c(C(N)=O)cc(Cl)cn1CCCc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| 10317939 | 108702 | 0 | None | -4 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| CHEMBL301019 | 108702 | 0 | None | -4 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1 | 10.1021/jm030944+ | |||
| 9809007 | 179343 | 8 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| CHEMBL448620 | 179343 | 8 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 9809007 | 179343 | 8 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL448620 | 179343 | 8 | None | -407 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(99)00484-9 | |||
| 10768610 | 210549 | 0 | None | -24 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 532 | 8 | 2 | 7 | 2.5 | COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL68045 | 210549 | 0 | None | -24 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 532 | 8 | 2 | 7 | 2.5 | COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 1220 | 6975 | 55 | None | -4265 | 44 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | |||
| 31 | 6975 | 55 | None | -4265 | 44 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | |||
| 7 | 6975 | 55 | None | -4265 | 44 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | |||
| CHEMBL56 | 6975 | 55 | None | -4265 | 44 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 247 | 5 | 1 | 2 | 3.4 | CCCN(C1CCc2c(C1)c(O)ccc2)CCC | 10.1021/jm030944+ | |||
| 13149 | 9323 | 36 | None | -91 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | |||
| 3034396 | 9323 | 36 | None | -91 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | |||
| CHEMBL299031 | 9323 | 36 | None | -91 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.8 | CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC | 10.1021/acs.jmedchem.9b01465 | |||
| 10880840 | 18768 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 291 | 6 | 1 | 4 | 2.7 | c1ccc(OCCNCC2COC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL1183249 | 18768 | 0 | None | -14 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 291 | 6 | 1 | 4 | 2.7 | c1ccc(OCCNCC2COC3(CCCCC3)O2)cc1 | 10.1016/j.ejmech.2016.09.050 | |||
| 76326540 | 92113 | 0 | None | 1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 2 | 4 | 4 | 1.3 | NC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261352 | 92113 | 0 | None | 1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 2 | 4 | 4 | 1.3 | NC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 44431545 | 94856 | 0 | None | -20 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234669 | 94856 | 0 | None | -20 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 3.9 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10650843 | 210628 | 0 | None | -57 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL68601 | 210628 | 0 | None | -57 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 3.8 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 9959671 | 39445 | 0 | None | -371 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL141322 | 39445 | 0 | None | -371 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 44299835 | 205181 | 0 | None | -117 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL57691 | 205181 | 0 | None | -117 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 583 | 7 | 2 | 7 | 4.0 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccn4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 196129 | 74573 | 17 | None | -691 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| CHEMBL1909065 | 74573 | 17 | None | -691 | 15 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 917 | 13 | 4 | 16 | 4.3 | CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC | nan | |||
| 44431562 | 94749 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234194 | 94749 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 517 | 9 | 1 | 7 | 3.9 | COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OC(C)C)CC3)CC2)c1 | 10.1016/j.bmcl.2007.04.008 | |||
| 10793720 | 210850 | 0 | None | -57 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 602 | 11 | 2 | 9 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1OC | 10.1021/jm9905918 | |||
| CHEMBL70095 | 210850 | 0 | None | -57 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 602 | 11 | 2 | 9 | 3.2 | COc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1OC | 10.1021/jm9905918 | |||
| 36811 | 8236 | 37 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 535 | 8236 | 37 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 937 | 8236 | 37 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| CHEMBL926 | 8236 | 37 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| DB00841 | 8236 | 37 | None | 1 | 7 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | nan | |||
| 24894141 | 194188 | 0 | None | -7 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL493697 | 194188 | 0 | None | -7 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 10747021 | 127798 | 0 | None | -81 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 670 | 8 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL356571 | 127798 | 0 | None | -81 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 670 | 8 | 2 | 5 | 7.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 185076 | 193869 | 5 | None | -147 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL49137 | 193869 | 5 | None | -147 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 227 | 1 | 2 | 5 | 1.3 | Cc1c(NC2=NCCN2)ccc2nccnc12 | 10.1016/0960-894X(95)00391-6 | |||
| 44426404 | 92402 | 0 | None | -4 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228333 | 92402 | 0 | None | -4 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 4.4 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OC3CC3)CC2)CC1)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2007.04.098 | |||
| 11000184 | 19824 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL1190038 | 19824 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL540035 | 19824 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 235 | 5 | 2 | 4 | 2.2 | CCSc1ccccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 155557696 | 183218 | 0 | None | -12 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4558985 | 183218 | 0 | None | -12 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4596295 | 183218 | 0 | None | -12 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 377 | 11 | 2 | 4 | 3.8 | OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 46881443 | 12362 | 0 | None | -21 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1077168 | 12362 | 0 | None | -21 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1cccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)O2)c1 | 10.1016/j.bmcl.2010.01.030 | |||
| 10841296 | 43230 | 0 | None | -85 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 601 | 8 | 0 | 7 | 6.1 | COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL144731 | 43230 | 0 | None | -85 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 601 | 8 | 0 | 7 | 6.1 | COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(C(=O)OC)(c4ccccc4)CC3)c2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 1547484 | 7727 | 74 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 654 | 7727 | 74 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 9072 | 7727 | 74 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL43064 | 7727 | 74 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB00568 | 7727 | 74 | None | -9 | 20 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 3158 | 63041 | 27 | None | -398 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| CHEMBL1628227 | 63041 | 27 | None | -398 | 20 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | |||
| 10606659 | 107310 | 0 | None | -7 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | |||
| CHEMBL291305 | 107310 | 0 | None | -7 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 436 | 6 | 0 | 5 | 3.4 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | |||
| 10437624 | 128049 | 0 | None | -954 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 10 | 1 | 7 | 4.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL357828 | 128049 | 0 | None | -954 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 10 | 1 | 7 | 4.3 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(N)=O)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 21509921 | 111235 | 0 | None | -58 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 111235 | 0 | None | -58 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 19085858 | 110929 | 0 | None | -1023 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 7 | 0 | 8 | 3.6 | CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL309518 | 110929 | 0 | None | -1023 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 7 | 0 | 8 | 3.6 | CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| 10839105 | 213598 | 0 | None | -3235 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL90421 | 213598 | 0 | None | -3235 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| 2803 | 7742 | 58 | None | -12 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 516 | 7742 | 58 | None | -12 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 704 | 7742 | 58 | None | -12 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| CHEMBL134 | 7742 | 58 | None | -12 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| DB00575 | 7742 | 58 | None | -12 | 19 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | nan | |||
| 21509921 | 111235 | 0 | None | -58 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| CHEMBL3104091 | 111235 | 0 | None | -58 | 24 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | |||
| 11177467 | 107850 | 0 | None | -6 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 5 | 0 | 6 | 2.8 | CC1CN(c2ccccc2[N+](=O)[O-])CCN1CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL294829 | 107850 | 0 | None | -6 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 414 | 5 | 0 | 6 | 2.8 | CC1CN(c2ccccc2[N+](=O)[O-])CCN1CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 6726 | 8063 | 51 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 7151 | 8063 | 51 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 749 | 8063 | 51 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| CHEMBL648 | 8063 | 51 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| DB01176 | 8063 | 51 | None | -11 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | |||
| 11140347 | 211312 | 1 | None | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL72768 | 211312 | 1 | None | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 239 | 4 | 2 | 4 | 2.0 | CSc1ccc(F)cc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 145960918 | 168307 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| CHEMBL4128460 | 168307 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 427 | 3 | 1 | 7 | 3.2 | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2018.05.023 | |||
| 2284 | 9956 | 33 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 4926 | 9956 | 33 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 7281 | 9956 | 33 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| CHEMBL564 | 9956 | 33 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| DB00420 | 9956 | 33 | None | -3 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | |||
| 44431607 | 94259 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233407 | 94259 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 509 | 7 | 1 | 5 | 4.7 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3cccc(Cl)c3F)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 499 | 10849 | 18 | None | -7 | 14 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | |||
| 5685 | 10849 | 18 | None | -7 | 14 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | |||
| CHEMBL25554 | 10849 | 18 | None | -7 | 14 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 10.1021/jm960069a | |||
| 10095156 | 85318 | 0 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL2112073 | 85318 | 0 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 44431546 | 94916 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL234679 | 94916 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 482 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm0307741 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm960697s | |||
| 46882034 | 12573 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 10 | 1 | 5 | 4.8 | CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1078773 | 12573 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 10 | 1 | 5 | 4.8 | CC(C)Oc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 56946474 | 78291 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| CHEMBL1946779 | 78291 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| CHEMBL1962769 | 78291 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 403 | 9 | 1 | 4 | 4.8 | COc1ccccc1OCCNCC1CCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| 10599007 | 211294 | 0 | None | -19 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| CHEMBL72657 | 211294 | 0 | None | -19 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 435 | 9 | 1 | 6 | 4.6 | COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 | 10.1021/jm960069a | |||
| 10048729 | 195922 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 5 | 1 | 8 | 2.5 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O | 10.1021/jm981006q | |||
| CHEMBL51074 | 195922 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 437 | 5 | 1 | 8 | 2.5 | Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O | 10.1021/jm981006q | |||
| 49781453 | 24639 | 0 | None | -16 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 2 | 0 | 3 | 5.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccc4)cc32)CC1 | 10.1021/jm100652h | |||
| CHEMBL1259043 | 24639 | 0 | None | -16 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 386 | 2 | 0 | 3 | 5.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4ccccc4)cc32)CC1 | 10.1021/jm100652h | |||
| 10553701 | 107072 | 0 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C#N)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL289166 | 107072 | 0 | None | -1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 472 | 4 | 1 | 7 | 3.4 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccc(C#N)c54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 16121006 | 18613 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL1182182 | 18613 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| CHEMBL217469 | 18613 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm060358r | |||
| 46881494 | 13380 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 4.7 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1083182 | 13380 | 0 | None | -6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 4.7 | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 16121006 | 18613 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL1182182 | 18613 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL217469 | 18613 | 0 | None | -316 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 7 | 1 | 5 | 3.7 | COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 44433348 | 97038 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL238401 | 97038 | 0 | None | -2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 545 | 10 | 0 | 7 | 4.6 | CCN([C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 | 10.1016/j.bmcl.2007.09.051 | |||
| 46882085 | 12587 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1078953 | 12587 | 0 | None | -7 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.4 | CCOc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 10530732 | 174830 | 0 | None | 1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| CHEMBL43234 | 174830 | 0 | None | 1 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 515 | 4 | 1 | 6 | 4.6 | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cc(C(F)(F)F)ccc54)c3=O)C[C@@H]21 | 10.1021/jm990567u | |||
| 11857863 | 92458 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228658 | 92458 | 0 | None | -2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 5.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccc(F)cc4OC(C)C)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 44330880 | 214930 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.6 | O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL98168 | 214930 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.6 | O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| 10939209 | 214410 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 6 | 2 | 5 | 3.5 | CCC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL95191 | 214410 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 6 | 2 | 5 | 3.5 | CCC(C)c1ccc(N2CCN(CCn3c(=O)[nH]c4c([nH]c5ccccc54)c3=O)CC2)cc1 | 10.1016/j.ejmech.2011.03.054 | |||
| 10839106 | 118372 | 0 | None | -30 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| CHEMBL328268 | 118372 | 0 | None | -30 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 500 | 7 | 2 | 3 | 4.5 | CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C | 10.1021/jm990612y | |||
| 10481087 | 176245 | 0 | None | -602 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 8 | 1 | 3 | 6.2 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3Cl)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL44294 | 176245 | 0 | None | -602 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 499 | 8 | 1 | 3 | 6.2 | Cc1ccc(C(C(=O)NCCCN2CCC(C#N)(c3ccccc3Cl)CC2)c2ccc(C)cc2)cc1 | 10.1016/s0960-894x(00)00307-3 | |||
| 18738382 | 22039 | 0 | None | -33 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 399 | 8 | 0 | 5 | 2.7 | CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12127 | 22039 | 0 | None | -33 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 399 | 8 | 0 | 5 | 2.7 | CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 33630 | 185736 | 99 | None | -10 | 28 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| CHEMBL47050 | 185736 | 99 | None | -10 | 28 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| 9894818 | 105701 | 0 | None | -138 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| CHEMBL279436 | 105701 | 0 | None | -138 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 593 | 10 | 3 | 6 | 4.9 | CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 | 10.1021/jm980077m | |||
| 12039032 | 105038 | 0 | None | -14 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 9 | 0 | 6 | 2.1 | CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL274529 | 105038 | 0 | None | -14 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 9 | 0 | 6 | 2.1 | CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 10745305 | 43910 | 0 | None | -169 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 9 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145278 | 43910 | 0 | None | -169 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 553 | 9 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10816903 | 44467 | 0 | None | -38 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 571 | 8 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL145756 | 44467 | 0 | None | -38 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 571 | 8 | 2 | 7 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccc(OC)cc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 10745870 | 43492 | 0 | None | -3090 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 9 | 2 | 7 | 2.8 | COC(=O)C1=C(C)NC(=O)N(CC(=O)NCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL144938 | 43492 | 0 | None | -3090 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 584 | 9 | 2 | 7 | 2.8 | COC(=O)C1=C(C)NC(=O)N(CC(=O)NCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 1443 | 8809 | 34 | None | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 33625 | 8809 | 34 | None | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 501 | 8809 | 34 | None | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| CHEMBL279516 | 8809 | 34 | None | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| DB08950 | 8809 | 34 | None | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 10.1021/jm00018a001 | |||
| 10841387 | 106394 | 0 | None | -190 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| CHEMBL284103 | 106394 | 0 | None | -190 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00019a001 | |||
| 10841387 | 106394 | 0 | None | -190 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| CHEMBL284103 | 106394 | 0 | None | -190 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| 9830741 | 214635 | 1 | None | -316 | 7 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| CHEMBL96467 | 214635 | 1 | None | -316 | 7 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1021/jm000085e | |||
| 10792898 | 210724 | 0 | None | -93 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| CHEMBL69295 | 210724 | 0 | None | -93 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1ccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 | 10.1021/jm9905918 | |||
| 145946292 | 174283 | 0 | None | 19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4210954 | 174283 | 0 | None | 19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4299802 | 174283 | 0 | None | 19 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 2.9 | CNc1ccc2c(c1)[C@H](NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| 16041091 | 101996 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256041 | 101996 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10767606 | 214230 | 0 | None | -870 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL94188 | 214230 | 0 | None | -870 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.6 | N#Cc1cc(F)ccc1C1CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 73346042 | 98609 | 5 | None | -630 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | |||
| CHEMBL2413153 | 98609 | 5 | None | -630 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | |||
| 56668277 | 69954 | 0 | None | -616 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL1789975 | 69954 | 0 | None | -616 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 10555024 | 128667 | 0 | None | -3090 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 568 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL359012 | 128667 | 0 | None | -3090 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 568 | 6 | 2 | 6 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCCc2ccccc23)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10626686 | 211098 | 0 | None | -7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL71473 | 211098 | 0 | None | -7 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 53328506 | 70169 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.4 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796040 | 70169 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 4.4 | O=C1CC(c2ccc(Cl)cc2)CC(=O)N1CCCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 497 | 10138 | 8 | None | -61 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | |||
| 9872515 | 10138 | 8 | None | -61 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL24777 | 10138 | 8 | None | -61 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10.1016/s0960-894x(03)00305-6 | |||
| 44213730 | 202435 | 0 | None | -7 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 1.3 | O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL55645 | 202435 | 0 | None | -7 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 1.3 | O=c1[nH]cc(CO)c(=O)n1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL179334 | 70077 | 0 | None | -3467 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 6.4 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 9809007 | 179343 | 8 | None | -407 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9902032 | |||
| CHEMBL448620 | 179343 | 8 | None | -407 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9902032 | |||
| 10739024 | 76608 | 0 | None | -25 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19376 | 76608 | 0 | None | -25 | 6 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 388 | 4 | 3 | 8 | 0.9 | COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 10697623 | 113944 | 0 | None | -3467 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 3.6 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| CHEMBL316358 | 113944 | 0 | None | -3467 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 3.6 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| 44390708 | 71045 | 0 | None | -1230 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1021/jm960697s | |||
| CHEMBL180932 | 71045 | 0 | None | -1230 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1021/jm960697s | |||
| 119204 | 191048 | 40 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 | 10.1039/C7MD00629B | |||
| CHEMBL483825 | 191048 | 40 | None | -2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 279 | 0 | 0 | 3 | 3.2 | CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 | 10.1039/C7MD00629B | |||
| 53328116 | 70158 | 0 | None | 3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.4 | O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796029 | 70158 | 0 | None | 3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 5 | 0 | 4 | 3.4 | O=C1CC(c2ccccc2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 71817545 | 98899 | 0 | None | -208 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| CHEMBL2419765 | 98899 | 0 | None | -208 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 354 | 7 | 2 | 5 | 3.0 | COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 | 10.1021/jm400867d | |||
| 44288857 | 175562 | 0 | None | -83 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL43749 | 175562 | 0 | None | -83 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 2.9 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44431613 | 94357 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 529 | 10 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL233584 | 94357 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 529 | 10 | 1 | 7 | 3.9 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4OCC4CC4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.008 | |||
| 16041451 | 104584 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL271913 | 104584 | 0 | None | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 11757736 | 40521 | 0 | None | -1288 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 570 | 9 | 2 | 6 | 4.3 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL142243 | 40521 | 0 | None | -1288 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 570 | 9 | 2 | 6 | 4.3 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 19085839 | 212561 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83041 | 212561 | 0 | None | -208 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)oc(=O)n2C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 71062708 | 161085 | 0 | None | -37 | 12 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | |||
| CHEMBL3986651 | 161085 | 0 | None | -37 | 12 | Mouse | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 368 | 7 | 0 | 5 | 2.8 | COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 | nan | |||
| 11277157 | 16153 | 0 | None | 1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 5 | 2 | 4 | 1.0 | CCS(=O)(=O)Nc1cccc(CC2CN=CN2)c1 | 10.1021/jm030551a | |||
| CHEMBL111412 | 16153 | 0 | None | 1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 267 | 5 | 2 | 4 | 1.0 | CCS(=O)(=O)Nc1cccc(CC2CN=CN2)c1 | 10.1021/jm030551a | |||
| 10650129 | 44282 | 0 | None | -162 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 10 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL145587 | 44282 | 0 | None | -162 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 540 | 10 | 0 | 7 | 5.2 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10506673 | 210704 | 0 | None | -72 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.2 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL69143 | 210704 | 0 | None | -72 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 9 | 2 | 7 | 3.2 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 127046694 | 146540 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 1.5 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(C(N)=O)c(Cl)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3798527 | 146540 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 1.5 | N=c1c(C(N)=O)cc(Cl)cn1Cc1ccc(C(N)=O)c(Cl)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 145946451 | 174317 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 4.3 | Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1 | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4218360 | 174317 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 4.3 | Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1 | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4300209 | 174317 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 6 | 1 | 2 | 4.3 | Fc1ccc(Cl)c(OCCNCc2cccc(Cl)c2)c1 | 10.1016/j.ejmech.2017.07.071 | |||
| 10318686 | 111060 | 0 | None | -60 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| CHEMBL309969 | 111060 | 0 | None | -60 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 7 | 0 | 6 | 2.9 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1 | 10.1016/s0960-894x(02)00436-5 | |||
| 15546405 | 103933 | 0 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 8 | 0 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL268030 | 103933 | 0 | None | -12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 8 | 0 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 44431574 | 153048 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL392066 | 153048 | 0 | None | -6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.0 | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 9828476 | 213703 | 0 | None | -288 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL91022 | 213703 | 0 | None | -288 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 9 | 2 | 7 | 5.2 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 9809007 | 179343 | 8 | None | -407 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| CHEMBL448620 | 179343 | 8 | None | -407 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960697s | |||
| 25131193 | 92965 | 0 | None | -46 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL2312225 | 92965 | 0 | None | -46 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.02.056 | |||
| 24894141 | 194188 | 0 | None | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | |||
| CHEMBL493697 | 194188 | 0 | None | -7 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm800461k | |||
| 25131193 | 92965 | 0 | None | -46 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL2312225 | 92965 | 0 | None | -46 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNCC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 44300159 | 108612 | 0 | None | -275 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL300355 | 108612 | 0 | None | -275 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 9830292 | 174968 | 0 | None | -1778 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL433284 | 174968 | 0 | None | -1778 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 174174 | 7311 | 49 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 260 | 7311 | 49 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 320 | 7311 | 49 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| CHEMBL517712 | 7311 | 49 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| DB00572 | 7311 | 49 | None | -2041 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | |||
| 133 | 9274 | 52 | None | -41 | 43 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 1723 | 9274 | 52 | None | -41 | 43 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 28693 | 9274 | 52 | None | -41 | 43 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| CHEMBL19215 | 9274 | 52 | None | -41 | 43 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| DB13520 | 9274 | 52 | None | -41 | 43 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | |||
| 6075 | 156887 | 42 | None | -4 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| CHEMBL395110 | 156887 | 42 | None | -4 | 16 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | |||
| 44331277 | 11248 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.9 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL101869 | 11248 | 0 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 3 | 0 | 3 | 4.9 | O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 | 10.1016/s0960-894x(98)00732-x | |||
| 53328508 | 70171 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 8 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796042 | 70171 | 0 | None | -4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 466 | 8 | 0 | 7 | 3.0 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc([N+](=O)[O-])cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 56945167 | 78290 | 0 | None | -85 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946788 | 78290 | 0 | None | -85 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1962757 | 78290 | 0 | None | -85 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1 | 10.1021/jm200421e | |||
| 56945165 | 78293 | 0 | None | -120 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1946787 | 78293 | 0 | None | -120 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | |||
| CHEMBL1962770 | 78293 | 0 | None | -120 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 442 | 6 | 1 | 4 | 4.6 | COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1 | 10.1021/jm200421e | |||
| 11350440 | 202328 | 0 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.0 | CN(CCNc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| CHEMBL55460 | 202328 | 0 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.0 | CN(CCNc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O | 10.1021/jm030944+ | |||
| 10719222 | 214226 | 0 | None | -398 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| CHEMBL94167 | 214226 | 0 | None | -398 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 472 | 7 | 3 | 3 | 3.7 | O=C1NC=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| 9959671 | 39445 | 0 | None | -371 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL141322 | 39445 | 0 | None | -371 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10554957 | 39767 | 0 | None | -1698 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(C)=N1 | 10.1021/jm9902032 | |||
| CHEMBL141604 | 39767 | 0 | None | -1698 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 564 | 11 | 0 | 7 | 5.5 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(CCCCCN2CCC(C#N)(c3ccccc3)CC2)C(C)=N1 | 10.1021/jm9902032 | |||
| 9797396 | 19653 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL1188811 | 19653 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| CHEMBL537428 | 19653 | 0 | None | -22 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 5 | 1 | 2 | 4.2 | c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.05.002 | |||
| 44324405 | 213540 | 0 | None | -1023 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.9 | CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| CHEMBL90086 | 213540 | 0 | None | -1023 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.9 | CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| 53328505 | 70168 | 0 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796039 | 70168 | 0 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 455 | 7 | 0 | 5 | 3.8 | COc1ccccc1N1CCN(CCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 155534933 | 178768 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.6 | COc1ccccc1OCCNCC1(c2ccccc2)COCCO1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4471113 | 178768 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.6 | COc1ccccc1OCCNCC1(c2ccccc2)COCCO1 | 10.1016/j.ejmech.2019.02.056 | |||
| 10554745 | 44006 | 0 | None | -165 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 552 | 10 | 1 | 6 | 4.9 | COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1 | 10.1021/jm9902032 | |||
| CHEMBL145353 | 44006 | 0 | None | -165 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 552 | 10 | 1 | 6 | 4.9 | COC(=O)C1(c2ccccc2)CCN(CCCCCN2C(C)=NC(C)=C(C(N)=O)C2c2ccc(F)cc2F)CC1 | 10.1021/jm9902032 | |||
| 44294958 | 195110 | 0 | None | -301 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 7 | 3 | 7 | 1.9 | NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| CHEMBL50081 | 195110 | 0 | None | -301 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 7 | 3 | 7 | 1.9 | NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc(F)c(F)c2)CC1 | 10.1016/s0960-894x(99)00653-8 | |||
| 53328503 | 70166 | 0 | None | -6 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 3.4 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796037 | 70166 | 0 | None | -6 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 3.4 | COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 11334596 | 16192 | 1 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 1.9 | CC(c1cccc(NS(C)(=O)=O)c1)c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111682 | 16192 | 1 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 265 | 4 | 2 | 3 | 1.9 | CC(c1cccc(NS(C)(=O)=O)c1)c1c[nH]cn1 | 10.1021/jm030551a | |||
| 44431564 | 155138 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL393725 | 155138 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 4.2 | COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 155563002 | 183447 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4570387 | 183447 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4598207 | 183447 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 419 | 10 | 1 | 5 | 4.2 | COc1ccccc1OCCNC[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 52944615 | 23881 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 11 | 1 | 4 | 5.6 | Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| CHEMBL1255002 | 23881 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 11 | 1 | 4 | 5.6 | Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1 | 10.1016/j.bmc.2010.08.002 | |||
| 118716715 | 121787 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 521 | 6 | 0 | 7 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342868 | 121787 | 0 | None | -1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 521 | 6 | 0 | 7 | 3.1 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44268966 | 40211 | 0 | None | -5 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL14199 | 40211 | 0 | None | -5 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 11857639 | 150662 | 1 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL390184 | 150662 | 1 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 44420423 | 90780 | 0 | None | 4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 4.3 | Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| CHEMBL220717 | 90780 | 0 | None | 4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 4.3 | Cc1nc2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2006.09.034 | |||
| 155557792 | 181464 | 0 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4559278 | 181464 | 0 | None | -1 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 419 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | |||
| 76326562 | 112983 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL2261608 | 112983 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| CHEMBL3138761 | 112983 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC | 10.1007/s00044-004-0024-8 | |||
| 44428847 | 99068 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| CHEMBL242723 | 99068 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 5 | 1 | 9 | 3.3 | COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC | 10.1016/j.bmc.2007.01.028 | |||
| 10787126 | 91345 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153558 | 91345 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220897 | 91345 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 363 | 8 | 1 | 6 | 2.7 | COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 59151583 | 146678 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 275 | 3 | 2 | 3 | 2.1 | Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799420 | 146678 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 275 | 3 | 2 | 3 | 2.1 | Cc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 44299975 | 108665 | 0 | None | -4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL300766 | 108665 | 0 | None | -4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 11224478 | 205395 | 0 | None | 21 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 4 | 0 | 4 | 3.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2F)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57882 | 205395 | 0 | None | 21 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 4 | 0 | 4 | 3.7 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2F)CC1 | 10.1021/jm030944+ | |||
| 2142 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 4920903 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 502 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 5775 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| CHEMBL597 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| DB00692 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 10.1021/ml5004298 | |||
| 44288359 | 162525 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 4.0 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| CHEMBL40564 | 162525 | 0 | None | 1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 461 | 5 | 1 | 6 | 4.0 | COc1cccc2c1CCC1CN(CCCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC21 | 10.1021/jm990567u | |||
| 9906677 | 107822 | 0 | None | 11 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.3 | O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| CHEMBL294646 | 107822 | 0 | None | 11 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 355 | 4 | 0 | 4 | 2.3 | O=C1CCC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 | 10.1021/jm030944+ | |||
| 10478121 | 177581 | 0 | None | -14 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | |||
| CHEMBL445325 | 177581 | 0 | None | -14 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 6 | 0 | 7 | 3.1 | COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC | 10.1021/jm000541z | |||
| 9865254 | 75450 | 0 | None | 6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1 | 10.1021/jm0491391 | |||
| CHEMBL192099 | 75450 | 0 | None | 6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 391 | 4 | 0 | 4 | 2.8 | O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1 | 10.1021/jm0491391 | |||
| 11016418 | 112899 | 0 | None | -12 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 6 | 0 | 7 | 4.2 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL313424 | 112899 | 0 | None | -12 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 488 | 6 | 0 | 7 | 4.2 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCN4CCOC4=O)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 10617200 | 33206 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| CHEMBL135973 | 33206 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@@H]1[C@H](NC[C@H]2COc3ccccc3O2)CC[C@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10.1021/jm960697s | |||
| 44298626 | 202256 | 0 | None | -25 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 427 | 7 | 1 | 7 | 1.4 | Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| CHEMBL55290 | 202256 | 0 | None | -25 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 427 | 7 | 1 | 7 | 1.4 | Cc1n[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O | 10.1016/s0960-894x(03)00305-6 | |||
| 11857794 | 92443 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228553 | 92443 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1cccc(OC(F)F)c1 | 10.1016/j.bmcl.2007.04.098 | |||
| 10507220 | 128054 | 0 | None | -1380 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | |||
| CHEMBL357842 | 128054 | 0 | None | -1380 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 567 | 10 | 0 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)cc1F | 10.1021/jm9902032 | |||
| 9904606 | 16158 | 0 | None | -8 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 2.3 | CN(c1cccc2c1CCCC2c1c[nH]cn1)S(C)(=O)=O | 10.1021/jm030551a | |||
| CHEMBL111463 | 16158 | 0 | None | -8 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 2.3 | CN(c1cccc2c1CCCC2c1c[nH]cn1)S(C)(=O)=O | 10.1021/jm030551a | |||
| 441383 | 27105 | 57 | None | -9 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| CHEMBL1306 | 27105 | 57 | None | -9 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | |||
| 19085829 | 212625 | 0 | None | -263 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83592 | 212625 | 0 | None | -263 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 473 | 6 | 0 | 7 | 3.0 | O=C1c2cc(F)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 11440979 | 204439 | 0 | None | 8 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 400 | 5 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| CHEMBL57098 | 204439 | 0 | None | 8 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 400 | 5 | 1 | 6 | 1.3 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1 | 10.1021/jm030944+ | |||
| 10622830 | 109203 | 0 | None | -5 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 1 | 6 | 3.2 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2 | 10.1021/jm000541z | |||
| CHEMBL303988 | 109203 | 0 | None | -5 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 437 | 6 | 1 | 6 | 3.2 | COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2 | 10.1021/jm000541z | |||
| 10791843 | 170179 | 0 | None | -309 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| CHEMBL419497 | 170179 | 0 | None | -309 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 511 | 7 | 2 | 4 | 3.7 | CN1C=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC1=O | 10.1021/jm990612y | |||
| 44289112 | 171676 | 0 | None | -93 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | COc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL42220 | 171676 | 0 | None | -93 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | COc1ccccc1C1(C#N)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 10578990 | 210620 | 0 | None | -48 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O | 10.1021/jm9905918 | |||
| CHEMBL68565 | 210620 | 0 | None | -48 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 572 | 10 | 2 | 8 | 3.2 | COc1ccccc1N1C(=O)c2ccc(C(=O)NCC(O)CN3CCN(c4ccccc4OC(C)C)CC3)cc2C1=O | 10.1021/jm9905918 | |||
| 16041092 | 102155 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256804 | 102155 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 518 | 10384 | 1 | None | -5 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | |||
| 9839317 | 10384 | 1 | None | -5 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | |||
| CHEMBL123138 | 10384 | 1 | None | -5 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 10.1021/jm00019a001 | |||
| 53328507 | 70170 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796041 | 70170 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 8 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 25130878 | 194056 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | |||
| CHEMBL492835 | 194056 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 7 | 1 | 4 | 2.8 | c1ccc(OCCNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1 | 10.1021/jm800461k | |||
| 71521478 | 92966 | 0 | None | -1318 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| CHEMBL2312226 | 92966 | 0 | None | -1318 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 449 | 10 | 1 | 6 | 4.0 | COc1cccc(OC)c1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm301525w | |||
| 44329027 | 10940 | 0 | None | -37 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL100045 | 10940 | 0 | None | -37 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 637 | 13 | 3 | 7 | 4.9 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COC)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 19085926 | 212322 | 0 | None | -724 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL81006 | 212322 | 0 | None | -724 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 3.2 | Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| 9872440 | 109043 | 0 | None | -81 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)c1 | 10.1021/jm9905918 | |||
| CHEMBL303248 | 109043 | 0 | None | -81 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 556 | 9 | 2 | 7 | 3.5 | Cc1cccc(N2C(=O)c3ccc(C(=O)NCC(O)CN4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)c1 | 10.1021/jm9905918 | |||
| 9934955 | 79051 | 0 | None | -20 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19826 | 79051 | 0 | None | -20 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 16040907 | 104659 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL272340 | 104659 | 0 | None | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 56649649 | 74632 | 0 | None | -85 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| CHEMBL1910140 | 74632 | 0 | None | -85 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 480 | 8 | 0 | 5 | 4.6 | COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1 | 10.1016/j.ejmech.2011.06.023 | |||
| 11474564 | 108383 | 0 | None | 31 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(C)c1 | 10.1021/jm030944+ | |||
| CHEMBL298808 | 108383 | 0 | None | 31 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 383 | 4 | 0 | 4 | 3.1 | Cc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(C)c1 | 10.1021/jm030944+ | |||
| 2812 | 11551 | 101 | None | -40 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 11551 | 101 | None | -40 | 34 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 9916549 | 128342 | 0 | None | -1023 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL358595 | 128342 | 0 | None | -1023 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 592 | 10 | 3 | 8 | 3.1 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 10508016 | 213935 | 0 | None | -20 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | |||
| CHEMBL92322 | 213935 | 0 | None | -20 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.7 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1 | 10.1021/jm980077m | |||
| 2105 | 9828 | 37 | None | -72 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 47811 | 9828 | 37 | None | -72 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 48 | 9828 | 37 | None | -72 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| CHEMBL531 | 9828 | 37 | None | -72 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| DB01186 | 9828 | 37 | None | -72 | 32 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | nan | |||
| 19085881 | 212547 | 0 | None | -478 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL82877 | 212547 | 0 | None | -478 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 2.8 | O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 9915831 | 108881 | 0 | None | -50 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL302246 | 108881 | 0 | None | -50 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 560 | 9 | 2 | 7 | 3.3 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 9960311 | 210643 | 0 | None | -25 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 598 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| CHEMBL68699 | 210643 | 0 | None | -25 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 598 | 9 | 2 | 7 | 4.5 | CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1 | 10.1021/jm9905918 | |||
| 53328873 | 70178 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796049 | 70178 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 447 | 6 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 155536203 | 183186 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4473623 | 183186 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4596045 | 183186 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 44362867 | 44421 | 0 | None | -165 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 658 | 8 | 2 | 5 | 6.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL145719 | 44421 | 0 | None | -165 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 658 | 8 | 2 | 5 | 6.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(c3cc(C)cc(C)c3)(c3cc(C)cc(C)c3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 11203294 | 82606 | 3 | None | -1174 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.6019/CHEMBL5058642 | |||
| CHEMBL2048623 | 82606 | 3 | None | -1174 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.6019/CHEMBL5058642 | |||
| 10841387 | 106394 | 0 | None | -190 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| CHEMBL284103 | 106394 | 0 | None | -190 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 607 | 10 | 3 | 6 | 5.2 | CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm980077m | |||
| 118717462 | 121922 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343984 | 121922 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 9817256 | 211017 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| CHEMBL71001 | 211017 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 283 | 5 | 2 | 6 | 0.5 | COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1 | 10.1021/jm000542r | |||
| 11203294 | 82606 | 3 | None | -1174 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.6019/CHEMBL5058642 | |||
| CHEMBL2048623 | 82606 | 3 | None | -1174 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.6019/CHEMBL5058642 | |||
| 118717462 | 121922 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| CHEMBL3343984 | 121922 | 0 | None | -10 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 12 | 2 | 6 | 6.3 | COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12 | 10.1016/j.bmc.2014.09.017 | |||
| 19085914 | 212604 | 0 | None | -1174 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL83340 | 212604 | 0 | None | -1174 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 2.9 | COc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O | 10.1016/s0960-894x(98)00446-6 | |||
| 44431618 | 151682 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL391017 | 151682 | 0 | None | -5 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 53328687 | 70176 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 483 | 8 | 0 | 5 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796047 | 70176 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 483 | 8 | 0 | 5 | 4.4 | COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 9934955 | 79051 | 0 | None | -22 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| CHEMBL19826 | 79051 | 0 | None | -22 | 6 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 5 | 2 | 9 | 2.1 | COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | 10.1021/jm980053f | |||
| 9809007 | 179343 | 8 | None | -407 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| CHEMBL448620 | 179343 | 8 | None | -407 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm00010a001 | |||
| 10769621 | 125771 | 0 | None | -2570 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL342543 | 125771 | 0 | None | -2570 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 584 | 8 | 2 | 7 | 4.1 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC(C)=O)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 10626843 | 175444 | 0 | None | -158 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 568 | 10 | 0 | 8 | 5.0 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL436407 | 175444 | 0 | None | -158 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 568 | 10 | 0 | 8 | 5.0 | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(c3ccccc3C(=O)OC)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 463 | 8187 | 22 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 6918097 | 8187 | 22 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 837 | 8187 | 22 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| CHEMBL2051956 | 8187 | 22 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| DB14068 | 8187 | 22 | None | -50 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960697s | |||
| 10621592 | 91346 | 0 | None | -13 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153559 | 91346 | 0 | None | -13 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2220898 | 91346 | 0 | None | -13 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 9 | 1 | 7 | 2.5 | COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 75306277 | 116031 | 0 | None | -398 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | |||
| CHEMBL3217984 | 116031 | 0 | None | -398 | 23 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | |||
| 10089254 | 106757 | 0 | None | -50 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 350 | 7 | 1 | 3 | 3.5 | O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 | 10.1021/jm960697s | |||
| CHEMBL286591 | 106757 | 0 | None | -50 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 350 | 7 | 1 | 3 | 3.5 | O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 | 10.1021/jm960697s | |||
| 118716704 | 121775 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 423 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342857 | 121775 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 423 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1CCN(CC2COC3(CCN(c4ccccc4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44268966 | 40211 | 0 | None | -6 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| CHEMBL14199 | 40211 | 0 | None | -6 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 7 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 | 10.1016/s0960-894x(01)00159-7 | |||
| 11505007 | 97039 | 0 | None | 4 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL238402 | 97039 | 0 | None | 4 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 557 | 9 | 1 | 7 | 4.1 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 10822173 | 127082 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1sccc1C | 10.1021/jm0003891 | |||
| CHEMBL1744267 | 127082 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1sccc1C | 10.1021/jm0003891 | |||
| CHEMBL352746 | 127082 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 206 | 3 | 1 | 2 | 3.3 | CCC(c1c[nH]cn1)c1sccc1C | 10.1021/jm0003891 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | nan | |||
| 59151621 | 146631 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799166 | 146631 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 320 | 3 | 2 | 4 | 2.3 | N#Cc1ccc(Cl)cc1Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| 46934789 | 23463 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| CHEMBL1242819 | 23463 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 479 | 7 | 0 | 7 | 2.6 | COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3C(=O)CCCC3=O)(c3ccccc3)O2)CC1 | 10.1016/j.ejmech.2010.05.023 | |||
| 44431602 | 154372 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL393104 | 154372 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 525 | 7 | 1 | 5 | 5.2 | CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 11857862 | 148832 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL387833 | 148832 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 2419 | 7482 | 28 | None | -3 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | |||
| 9 | 7482 | 28 | None | -3 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | |||
| CHEMBL13647 | 7482 | 28 | None | -3 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 10.1021/jm030944+ | |||
| 144096995 | 171275 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 371 | 8 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4214499 | 171275 | 0 | None | 3 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 371 | 8 | 1 | 4 | 3.1 | CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| 9848303 | 118357 | 0 | None | -2 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1016/j.bmc.2012.10.049 | |||
| CHEMBL328187 | 118357 | 0 | None | -2 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1016/j.bmc.2012.10.049 | |||
| 9848303 | 118357 | 0 | None | -2 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1021/jm100652h | |||
| CHEMBL328187 | 118357 | 0 | None | -2 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 6 | 1 | 6 | 3.8 | Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 | 10.1021/jm100652h | |||
| 44288468 | 175160 | 0 | None | -1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | |||
| CHEMBL434591 | 175160 | 0 | None | -1 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 4 | 1 | 6 | 3.6 | COc1cccc2c1C1CN(CCn3c(=O)[nH]c4c(sc5ccccc54)c3=O)CC1CC2 | 10.1021/jm990567u | |||
| 59151563 | 146617 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 291 | 4 | 2 | 4 | 1.8 | COc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799089 | 146617 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 291 | 4 | 2 | 4 | 1.8 | COc1cccc(Cn2cc(Cl)cc(C(N)=O)c2=N)c1 | 10.1021/acs.jmedchem.5b01528 | |||
| 16040907 | 104659 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL272340 | 104659 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 10678591 | 65856 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | |||
| CHEMBL1203849 | 65856 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | |||
| CHEMBL169599 | 65856 | 5 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 164 | 2 | 1 | 2 | 2.1 | c1csc(Cc2c[nH]cn2)c1 | 10.1021/jm0003891 | |||
| 11394353 | 107666 | 0 | None | 9 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.1 | Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1 | 10.1021/jm030944+ | |||
| CHEMBL293734 | 107666 | 0 | None | 9 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.1 | Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1 | 10.1021/jm030944+ | |||
| 73453 | 36389 | 24 | None | -12 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| CHEMBL1385840 | 36389 | 24 | None | -12 | 17 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 561 | 4 | 3 | 6 | 2.0 | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | nan | |||
| 11857861 | 201559 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL538397 | 201559 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 520 | 10 | 1 | 6 | 4.5 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4OCCF)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 71454865 | 91378 | 0 | None | -8 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2153551 | 91378 | 0 | None | -8 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| CHEMBL2221145 | 91378 | 0 | None | -8 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 361 | 8 | 2 | 7 | 2.2 | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 | 10.1016/j.ejmech.2012.09.049 | |||
| 9866614 | 21487 | 1 | None | -120 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| CHEMBL12062 | 21487 | 1 | None | -120 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 416 | 9 | 1 | 5 | 2.1 | CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1 | 10.1016/s0960-894x(00)00169-4 | |||
| 10393665 | 40696 | 0 | None | -151 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL142383 | 40696 | 0 | None | -151 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 593 | 9 | 2 | 9 | 3.4 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 10767607 | 113906 | 0 | None | -4786 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.4 | N#CC1(c2ccc(F)cc2)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| CHEMBL316100 | 113906 | 0 | None | -4786 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 497 | 7 | 3 | 4 | 3.4 | N#CC1(c2ccc(F)cc2)CCN(CCCNC(=O)C2=CNC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 | 10.1021/jm990612y | |||
| 487 | 10406 | 21 | None | -218 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| 60602 | 10406 | 21 | None | -218 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| CHEMBL405355 | 10406 | 21 | None | -218 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| DB09239 | 10406 | 21 | None | -218 | 12 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 10.1021/jm960069a | |||
| 59151612 | 146415 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 241 | 2 | 2 | 3 | 1.8 | CC(C)(C)Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3797685 | 146415 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 241 | 2 | 2 | 3 | 1.8 | CC(C)(C)Cn1cc(Cl)cc(C(N)=O)c1=N | 10.1021/acs.jmedchem.5b01528 | |||
| 71817861 | 109183 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3039699 | 109183 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| CHEMBL3217244 | 109183 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 7 | 2 | 6 | 2.5 | COc1ccc2c(c1OCCNC[C@@H]1COc3ccccc3O1)NCC2 | 10.1021/jm400867d | |||
| 71521480 | 93036 | 0 | None | -208 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| CHEMBL2312538 | 93036 | 0 | None | -208 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 8 | 1 | 4 | 4.0 | c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 | 10.1021/jm301525w | |||
| 11782656 | 35856 | 0 | None | -436 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 9 | 1 | 4 | 3.8 | COc1cccc2c(CCCNCCOc3ccccn3)cccc12 | 10.1021/jm010866v | |||
| CHEMBL138109 | 35856 | 0 | None | -436 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 9 | 1 | 4 | 3.8 | COc1cccc2c(CCCNCCOc3ccccn3)cccc12 | 10.1021/jm010866v | |||
| 10622156 | 206847 | 0 | None | -1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 3.7 | COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | |||
| CHEMBL59575 | 206847 | 0 | None | -1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 3.7 | COc1cc2c(cc1OC)CN(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 | 10.1021/jm000541z | |||
| 10297 | 33885 | 30 | None | -31 | 43 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | |||
| CHEMBL136560 | 33885 | 30 | None | -31 | 43 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | 10.1021/jm025550h | |||
| 2435 | 7509 | 100 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| 395 | 7509 | 100 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| 520 | 7509 | 100 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| 5386 | 7509 | 100 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| CHEMBL844 | 7509 | 100 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| DB00484 | 7509 | 100 | None | -28 | 12 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | nan | |||
| 9913449 | 113229 | 1 | None | -46 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL313990 | 113229 | 1 | None | -46 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 489 | 6 | 0 | 7 | 3.5 | O=C1c2cc(Cl)ccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3ccccc32)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 76319344 | 92112 | 0 | None | -29 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 289 | 2 | 3 | 5 | 2.0 | COC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL2261351 | 92112 | 0 | None | -29 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 289 | 2 | 3 | 5 | 2.0 | COC(=O)Nc1c(O)ccc2c1CCCC2C1=NCCN1 | 10.1007/s00044-004-0020-z | |||
| 162265 | 209053 | 22 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | |||
| 4786 | 209053 | 22 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL61006 | 209053 | 22 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1007/s00044-004-0020-z | |||
| 162265 | 209053 | 22 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | |||
| 4786 | 209053 | 22 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | |||
| CHEMBL61006 | 209053 | 22 | None | -5 | 44 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | 10.1021/jm030551a | |||
| 44426405 | 92444 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228554 | 92444 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 9 | 1 | 5 | 5.7 | O=S(=O)(N[C@H]1CC[C@H](N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2007.04.098 | |||
| 11857862 | 92452 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| 11857862 | 92452 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| CHEMBL228607 | 92452 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL228607 | 92452 | 0 | None | -2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 10 | 1 | 6 | 4.8 | COc1ccc(S(=O)(=O)N[C@H]2CC[C@H](N3CCC(c4ccccc4OCC(F)F)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.09.051 | |||
| 145947479 | 174421 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 2.0 | NC(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4210948 | 174421 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 2.0 | NC(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4301647 | 174421 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 396 | 6 | 2 | 5 | 2.0 | NC(=O)c1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| 11857639 | 92523 | 1 | None | -61 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| CHEMBL229084 | 92523 | 1 | None | -61 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 7 | 1 | 4 | 5.2 | CC(C)Oc1ccccc1C1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.04.098 | |||
| 10603739 | 23161 | 0 | None | -109 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCC1=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| CHEMBL123012 | 23161 | 0 | None | -109 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCC1=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 | 10.1021/jm990200p | |||
| 155525650 | 183417 | 0 | None | -16 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4457585 | 183417 | 0 | None | -16 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4597956 | 183417 | 0 | None | -16 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 4.2 | c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 3191 | 109635 | 97 | None | -14 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 109635 | 97 | None | -14 | 25 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 10916464 | 210932 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL70563 | 210932 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 287 | 4 | 2 | 5 | 1.2 | CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 2398 | 7741 | 62 | None | -1 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 2801 | 7741 | 62 | None | -1 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 701 | 7741 | 62 | None | -1 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| CHEMBL415 | 7741 | 62 | None | -1 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| DB01242 | 7741 | 62 | None | -1 | 29 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | nan | |||
| 127046608 | 146682 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 227 | 3 | 2 | 3 | 1.1 | N=c1c(C(N)=O)cccn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799440 | 146682 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 227 | 3 | 2 | 3 | 1.1 | N=c1c(C(N)=O)cccn1Cc1ccccc1 | 10.1021/acs.jmedchem.5b01528 | |||
| 10601065 | 119085 | 0 | None | -954 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 488 | 7 | 4 | 4 | 2.8 | O=C1NC=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| CHEMBL329143 | 119085 | 0 | None | -954 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 488 | 7 | 4 | 4 | 2.8 | O=C1NC=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N1 | 10.1021/jm990612y | |||
| 10793261 | 127831 | 0 | None | -6165 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| CHEMBL356829 | 127831 | 0 | None | -6165 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 3.0 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)C2c2ccc([N+](=O)[O-])cc2)CC1 | 10.1021/jm990200p | |||
| 155515301 | 176746 | 0 | None | -7 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4441888 | 176746 | 0 | None | -7 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.ejmech.2019.02.056 | |||
| 118716711 | 121783 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342864 | 121783 | 0 | None | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 389 | 4 | 0 | 6 | 1.6 | COc1ccccc1N1CCN(CC2COC3(CCN(C(C)=O)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 44275526 | 105642 | 0 | None | -12 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 7.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1 | 10.1021/jm960697s | |||
| CHEMBL27899 | 105642 | 0 | None | -12 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 7.3 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(OC(C)C)cc1 | 10.1021/jm960697s | |||
| 10032383 | 116887 | 0 | None | -812 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 136680387 | 116887 | 0 | None | -812 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL323579 | 116887 | 0 | None | -812 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 666 | 15 | 4 | 8 | 4.2 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44461012 | 111050 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 509 | 6 | 0 | 7 | 3.7 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| CHEMBL309949 | 111050 | 0 | None | -10 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 509 | 6 | 0 | 7 | 3.7 | O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc4c(cc32)CCCC4)CC1 | 10.1016/s0960-894x(98)00446-6 | |||
| 44273916 | 105605 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL278716 | 105605 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 8 | 3.4 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 9910451 | 170909 | 0 | None | -8 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 4.7 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| CHEMBL420997 | 170909 | 0 | None | -8 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 428 | 5 | 0 | 6 | 4.7 | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1 | 10.1021/jm020938y | |||
| 144096985 | 170873 | 0 | None | 4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 385 | 9 | 1 | 4 | 3.5 | CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4209590 | 170873 | 0 | None | 4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 385 | 9 | 1 | 4 | 3.5 | CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl | 10.1016/j.ejmech.2017.07.071 | |||
| 10363912 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| CHEMBL1082862 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| CHEMBL286003 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm021078o | |||
| 10363912 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL1082862 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL286003 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2019.05.024 | |||
| 10363912 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL1082862 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| CHEMBL286003 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmcl.2010.01.030 | |||
| 10363912 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| CHEMBL1082862 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| CHEMBL286003 | 13310 | 0 | None | -15 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 405 | 9 | 1 | 5 | 4.0 | COc1ccccc1OCCNCC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm200421e | |||
| 44431618 | 93841 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| CHEMBL232607 | 93841 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 488 | 8 | 1 | 7 | 3.3 | COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.04.008 | |||
| 57929588 | 146752 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl | 10.1021/acs.jmedchem.5b01528 | |||
| CHEMBL3799869 | 146752 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 1.8 | CS(=O)(=O)c1ccc(Cn2cc(Cl)cc(C(N)=O)c2=N)cc1Cl | 10.1021/acs.jmedchem.5b01528 | |||
| 49781677 | 24645 | 0 | None | -9 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1 | 10.1021/jm100652h | |||
| CHEMBL1259063 | 24645 | 0 | None | -9 | 4 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 400 | 2 | 0 | 3 | 5.7 | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1 | 10.1021/jm100652h | |||
| 145948065 | 174527 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4217958 | 174527 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| CHEMBL4302898 | 174527 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.9 | COc1cccc2c1C(NCCOc1cc(F)ccc1F)CCS2(=O)=O | 10.1016/j.ejmech.2017.07.071 | |||
| 11465618 | 109175 | 23 | None | -35 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL3039528 | 109175 | 23 | None | -35 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | |||
| CHEMBL5191141 | 109175 | 23 | None | -35 | 19 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C | 10.1016/j.bmcl.2022.128879 | |||
| 118716719 | 121791 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 493 | 6 | 0 | 8 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| CHEMBL3342872 | 121791 | 0 | None | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 493 | 6 | 0 | 8 | 2.5 | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4cccs4)CC3)O2)CC1 | 10.1016/j.ejmech.2014.09.070 | |||
| 10768829 | 126162 | 0 | None | -32 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| CHEMBL344525 | 126162 | 0 | None | -32 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 3.7 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3C)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990202+ | |||
| 2286 | 9957 | 51 | None | -8 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 4927 | 9957 | 51 | None | -8 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 7282 | 9957 | 51 | None | -8 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| CHEMBL643 | 9957 | 51 | None | -8 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| DB01069 | 9957 | 51 | None | -8 | 30 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | |||
| 10770007 | 41368 | 0 | None | -301 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| CHEMBL142957 | 41368 | 0 | None | -301 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 10 | 2 | 9 | 3.8 | CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1 | 10.1021/jm990200p | |||
| 11802456 | 177739 | 0 | None | -912 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 584 | 9 | 3 | 7 | 2.9 | CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| CHEMBL445577 | 177739 | 0 | None | -912 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 584 | 9 | 3 | 7 | 2.9 | CCC1=C(C(=O)OC)C(c2ccc(F)cc2F)N(C(=O)NCCCN2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 | 10.1021/jm990202+ | |||
| 14925759 | 164817 | 6 | None | -31 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| CHEMBL4085780 | 164817 | 6 | None | -31 | 13 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | |||
| 10627094 | 127869 | 0 | None | -575 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 581 | 10 | 0 | 7 | 5.8 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| CHEMBL357131 | 127869 | 0 | None | -575 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 581 | 10 | 0 | 7 | 5.8 | COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm9902032 | |||
| 10816815 | 126133 | 0 | None | -2290 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 566 | 6 | 2 | 5 | 4.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| CHEMBL344339 | 126133 | 0 | None | -2290 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 566 | 6 | 2 | 5 | 4.9 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CCCc4ccccc43)CC2)C1c1ccc(F)c(F)c1 | 10.1021/jm990201h | |||
| 11058166 | 211484 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | |||
| CHEMBL74114 | 211484 | 0 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 271 | 4 | 2 | 5 | 0.6 | CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 | 10.1021/jm000542r | |||
| 53328872 | 70177 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 433 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796048 | 70177 | 0 | None | 3 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 433 | 5 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 18738385 | 210503 | 0 | None | -181 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL67713 | 210503 | 0 | None | -181 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 427 | 7 | 0 | 5 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 1376848 | 210535 | 8 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 366 | 4 | 0 | 4 | 3.8 | COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| CHEMBL67932 | 210535 | 8 | None | 1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 366 | 4 | 0 | 4 | 3.8 | COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1 | 10.1016/s0960-894x(02)00347-5 | |||
| 16041090 | 102168 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL256853 | 102168 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | 10.1016/j.bmcl.2007.11.068 | |||
| 16041630 | 104323 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| CHEMBL270589 | 104323 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | 10.1016/j.bmcl.2007.11.068 | |||
| 71452768 | 86346 | 0 | None | -102 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| CHEMBL2114249 | 86346 | 0 | None | -102 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 5.0 | C[C@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 | 10.1016/s0960-894x(00)00524-2 | |||
| 240 | 7731 | 43 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 2769 | 7731 | 43 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 44279790 | 7731 | 43 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 660 | 7731 | 43 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL1729 | 7731 | 43 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| CHEMBL560739 | 7731 | 43 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| DB00604 | 7731 | 43 | None | -5 | 25 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | nan | |||
| 10531476 | 41119 | 0 | None | -933 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 590 | 8 | 2 | 10 | 3.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc2nonc2c1 | 10.1021/jm990200p | |||
| CHEMBL142743 | 41119 | 0 | None | -933 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 590 | 8 | 2 | 10 | 3.0 | COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc2nonc2c1 | 10.1021/jm990200p | |||
| 56945166 | 78303 | 0 | None | -9 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 4.4 | O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | |||
| CHEMBL1946785 | 78303 | 0 | None | -9 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 4.4 | O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | |||
| CHEMBL1962872 | 78303 | 0 | None | -9 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 4.4 | O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 | 10.1021/jm200421e | |||
| 10746137 | 43728 | 0 | None | -177 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| CHEMBL145134 | 43728 | 0 | None | -177 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 599 | 9 | 2 | 7 | 3.9 | COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(C#N)(c3ccccc3F)CC2)C(=O)N1 | 10.1021/jm990201h | |||
| 2435 | 7509 | 100 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 395 | 7509 | 100 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 520 | 7509 | 100 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 5386 | 7509 | 100 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| CHEMBL844 | 7509 | 100 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| DB00484 | 7509 | 100 | None | -28 | 12 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | 10.1016/0960-894X(95)00391-6 | |||
| 10065903 | 29074 | 0 | None | -251 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| CHEMBL132378 | 29074 | 0 | None | -251 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 341 | 5 | 2 | 5 | 2.4 | O[C@H]1[C@@H](NC[C@@H]2COc3ccccc3O2)CC[C@@H]1Oc1ccccc1 | 10.1021/jm991065j | |||
| 44331169 | 174726 | 0 | None | -14 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL431631 | 174726 | 0 | None | -14 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 444 | 6 | 1 | 6 | 3.1 | COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 | 10.1016/s0960-894x(98)00732-x | |||
| 136680386 | 214482 | 0 | None | -199 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44328801 | 214482 | 0 | None | -199 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| CHEMBL95578 | 214482 | 0 | None | -199 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 680 | 16 | 4 | 8 | 4.6 | CCC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCCN)N1 | 10.1016/s0960-894x(99)00484-9 | |||
| 44299945 | 108703 | 0 | None | -41 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL301024 | 108703 | 0 | None | -41 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.3 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 155565219 | 183344 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4580335 | 183344 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| CHEMBL4597359 | 183344 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 4.6 | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 | 10.1016/j.ejmech.2019.05.024 | |||
| 155523275 | 177563 | 0 | None | -10 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@H]1OCCO[C@@H]1c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | |||
| CHEMBL4452933 | 177563 | 0 | None | -10 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@H]1OCCO[C@@H]1c1ccccc1 | 10.1016/j.ejmech.2019.02.056 | |||
| 134157330 | 160483 | 0 | None | -31 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 321 | 7 | 1 | 5 | 2.7 | COc1ccccc1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| CHEMBL3981480 | 160483 | 0 | None | -31 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 321 | 7 | 1 | 5 | 2.7 | COc1ccccc1OCCNCC1COC2(CCCCC2)O1 | 10.1016/j.ejmech.2016.09.050 | |||
| 11995036 | 18616 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL1182196 | 18616 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| CHEMBL218732 | 18616 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 419 | 7 | 1 | 5 | 4.5 | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3c(cc2O1)CCCC3 | 10.1021/jm060358r | |||
| 489 | 6933 | 28 | None | -380 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 5640 | 6933 | 28 | None | -380 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| CHEMBL420060 | 6933 | 28 | None | -380 | 12 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 10.1021/jm00018a001 | |||
| 44288485 | 169299 | 0 | None | -104 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| CHEMBL41677 | 169299 | 0 | None | -104 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(00)00307-3 | |||
| 44300107 | 107463 | 0 | None | -162 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| CHEMBL292365 | 107463 | 0 | None | -162 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 607 | 7 | 2 | 7 | 4.5 | COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1 | 10.1016/s0960-894x(00)00374-7 | |||
| 53328686 | 70174 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 469 | 7 | 0 | 5 | 4.0 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| CHEMBL1796045 | 70174 | 0 | None | -2 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 469 | 7 | 0 | 5 | 4.0 | COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(c3ccccc3)CC2=O)CC1 | 10.1016/j.ejmech.2011.03.054 | |||
| 25130875 | 194406 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | |||
| CHEMBL494908 | 194406 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 343 | 8 | 1 | 5 | 2.8 | COc1ccccc1OCCNC[C@@H]1CO[C@@H](c2ccccc2)CO1 | 10.1021/jm800461k | |||
| 11057 | 182928 | 23 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 3468 | 182928 | 23 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL459265 | 182928 | 23 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| CHEMBL64894 | 182928 | 23 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | |||
| 44288485 | 169299 | 0 | None | -104 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | |||
| CHEMBL41677 | 169299 | 0 | None | -104 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 498 | 9 | 1 | 4 | 5.1 | COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 | 10.1016/s0960-894x(01)00320-1 | |||
| 9879119 | 16218 | 0 | None | -43 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| CHEMBL111771 | 16218 | 0 | None | -43 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1007/s00044-004-0020-z | |||
| 9879119 | 16218 | 0 | None | -43 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| CHEMBL111771 | 16218 | 0 | None | -43 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 291 | 4 | 2 | 3 | 2.2 | CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1 | 10.1021/jm030551a | |||
| 53248361 | 68856 | 0 | None | -63 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 568 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 | 10.1021/jm1009956 | |||
| CHEMBL1774991 | 68856 | 0 | None | -63 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 568 | 7 | 0 | 5 | 3.2 | COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 | 10.1021/jm1009956 | |||
| 44331198 | 11231 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 5.2 | c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| CHEMBL101739 | 11231 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 357 | 3 | 0 | 2 | 5.2 | c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2 | 10.1016/s0960-894x(98)00732-x | |||
| 60820 | 11080 | 14 | UNDEFINED | -1 | 12 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | None | |||
| CHEMBL10085 | 11080 | 14 | UNDEFINED | -1 | 12 | Human | 10.7 | pKi | = | 10.7 | Binding | PDSP KiDatabase | 421 | 6 | 0 | 4 | 4.4 | CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 | None | |||
| 129211 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 4209 | 9937 | 75 | 3H-PRAZOSIN | 1 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 9937 | 75 | 3H-PRAZOSIN | 1 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 9937 | 75 | 3H-PRAZOSIN | 1 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 9937 | 75 | 3H-PRAZOSIN | 1 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 9937 | 75 | 3H-PRAZOSIN | 1 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 9937 | 75 | 3H-PRAZOSIN | 1 | 33 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 129211 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 10521 | 78 | 3H-PRAZOSIN | -1 | 16 | Human | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 222737 | 0 | UNDEFINED | 4 | 19 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| None | 223021 | 0 | 3H-PRAZOSIN | 66 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 555 | 7 | 1 | 9 | 4.3 | COC1=CC=CC2=C1C3CN(CC3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O | None | |||
| 129211 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 4209 | 9937 | 75 | UNDEFINED | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 9937 | 75 | UNDEFINED | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 9937 | 75 | UNDEFINED | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 9937 | 75 | UNDEFINED | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 9937 | 75 | UNDEFINED | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 9937 | 75 | UNDEFINED | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 129211 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 10521 | 78 | UNDEFINED | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2726 | 7706 | 68 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2726 | 7706 | 68 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 7706 | 68 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 7706 | 68 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 7706 | 68 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 7706 | 68 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 7706 | 68 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 7706 | 68 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 7706 | 68 | 125I-HEAT | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 7706 | 68 | 3H-PRAZOSIN | 1 | 72 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 4209 | 9937 | 75 | 125I-HEAT | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 9937 | 75 | 125I-HEAT | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 9937 | 75 | 125I-HEAT | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 9937 | 75 | 125I-HEAT | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 9937 | 75 | 125I-HEAT | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 9937 | 75 | 125I-HEAT | -2 | 33 | Rat | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4209 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 489 | 6933 | 28 | UNDEFINED | -34 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| 5640 | 6933 | 28 | UNDEFINED | -34 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| CHEMBL420060 | 6933 | 28 | UNDEFINED | -34 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 3584 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 4209 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 9937 | 75 | 125I-BE2254 | 1 | 33 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223021 | 0 | 3H-PRAZOSIN | 66 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 555 | 7 | 1 | 9 | 4.3 | COC1=CC=CC2=C1C3CN(CC3CO2)CCCCN4C(=O)C5=C(C6=NC(=CN=C6S5)C7=CC=CC=C7)NC4=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 31101 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 35 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 403 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| CHEMBL493 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| DB01200 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 16041629 | 102221 | 0 | UNDEFINED | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| CHEMBL257097 | 102221 | 0 | UNDEFINED | -1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| None | 223405 | 0 | UNDEFINED | 11 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 359 | 1 | 2 | 3 | 5.3 | CC1=CC=CC=C1N2C3=CC=CC=C3C(CC(C4=CC=CC=C42)(C)O)(C)O | None | |||
| 100 | 10577 | 58 | 125I-HEAT | -1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 10577 | 58 | 125I-HEAT | -1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 10577 | 58 | 125I-HEAT | -1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 10577 | 58 | 125I-HEAT | -1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 10577 | 58 | 125I-HEAT | -1 | 54 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 219050 | 10146 | 25 | 3H-PRAZOSIN | -11 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| 52 | 10146 | 25 | 3H-PRAZOSIN | -11 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| CHEMBL431367 | 10146 | 25 | 3H-PRAZOSIN | -11 | 21 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041264 | 102218 | 0 | UNDEFINED | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| CHEMBL257077 | 102218 | 0 | UNDEFINED | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 135398737 | 7745 | 93 | 125I-HEAT | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 135398737 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 7745 | 93 | 125I-HEAT | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 7745 | 93 | 125I-HEAT | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 7745 | 93 | 125I-HEAT | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 7745 | 93 | 125I-HEAT | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 16041092 | 102155 | 0 | UNDEFINED | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| CHEMBL256804 | 102155 | 0 | UNDEFINED | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 135398737 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 7745 | 93 | 3H-PRAZOSIN | -2 | 90 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 16041629 | 102221 | 0 | UNDEFINED | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| CHEMBL257097 | 102221 | 0 | UNDEFINED | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| 2435 | 10362 | 83 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 60149 | 10362 | 83 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 98 | 10362 | 83 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| CHEMBL12713 | 10362 | 83 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| DB06144 | 10362 | 83 | 3H-PRAZOSIN | -3 | 48 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 3584 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 10549 | 64 | 3H-PRAZOSIN | -1 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 115 | 7131 | 71 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 2092 | 7131 | 71 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 7109 | 7131 | 71 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| CHEMBL709 | 7131 | 71 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| DB00346 | 7131 | 71 | UNDEFINED | -1 | 7 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 209 | 9831 | 97 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 2113 | 9831 | 97 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 4748 | 9831 | 97 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| CHEMBL567 | 9831 | 97 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| DB00850 | 9831 | 97 | 3H-PRAZOSIN | -14 | 23 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 10521 | 78 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | None | |||
| 521 | 8186 | 69 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| 5311068 | 8186 | 69 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| 835 | 8186 | 69 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| CHEMBL778 | 8186 | 69 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| DB00633 | 8186 | 69 | None | 2 | 7 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C | None | |||
| 2803 | 7742 | 58 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 7742 | 58 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 7742 | 58 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 7742 | 58 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 7742 | 58 | 3H-PRAZOSIN | -2 | 19 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 484 | 9633 | 51 | 125I-HEAT | 4 | 35 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 9633 | 51 | 125I-HEAT | 4 | 35 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 9633 | 51 | 125I-HEAT | 4 | 35 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 202 | 8290 | 77 | 3H-PRAZOSIN | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 202 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 60835 | 8290 | 77 | 3H-PRAZOSIN | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 60835 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 972 | 8290 | 77 | 3H-PRAZOSIN | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 972 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| CHEMBL1175 | 8290 | 77 | 3H-PRAZOSIN | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| CHEMBL1175 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| DB00476 | 8290 | 77 | 3H-PRAZOSIN | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| DB00476 | 8290 | 77 | UNDEFINED | -9 | 33 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | |||
| 43815 | 193699 | 64 | 3H-PRAZOSIN | -199 | 25 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| CHEMBL1708 | 193699 | 64 | 3H-PRAZOSIN | -199 | 25 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| CHEMBL490 | 193699 | 64 | 3H-PRAZOSIN | -199 | 25 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | |||
| 5656 | 209845 | 87 | 3H-PRAZOSIN | -25 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
| 5656 | 209845 | 87 | UNDEFINED | -7 | 43 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
| CHEMBL637 | 209845 | 87 | 3H-PRAZOSIN | -25 | 43 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
| CHEMBL637 | 209845 | 87 | UNDEFINED | -7 | 43 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
| 54841 | 209906 | 52 | UNDEFINED | -1 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | |||
| CHEMBL641 | 209906 | 52 | UNDEFINED | -1 | 30 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | |||
| 3075702 | 224111 | 0 | 3H-PRAZOSIN | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | |||
| 179 | 7188 | 115 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 2159 | 7188 | 115 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 963 | 7188 | 115 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| CHEMBL243712 | 7188 | 115 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| DB06288 | 7188 | 115 | 125I-HEAT | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 1753 | 9282 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 483 | 9282 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 6082 | 9282 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| CHEMBL524 | 9282 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| DB00723 | 9282 | 28 | 125I-HEAT | 1 | 5 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 134 | 9292 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 1775 | 9292 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 9681 | 9292 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| CHEMBL1065 | 9292 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| DB00247 | 9292 | 24 | 125I-HEAT | -8511 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | |||
| 484 | 9633 | 51 | 125I-BE2254 | -93 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 9633 | 51 | 125I-BE2254 | -93 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 9633 | 51 | 125I-BE2254 | -93 | 35 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 15897 | 9637 | 0 | 125I-HEAT | -275 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 215 | 9637 | 0 | 125I-HEAT | -275 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| CHEMBL1979333 | 9637 | 0 | 125I-HEAT | -275 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 4508 | 9913 | 98 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 4866774 | 9913 | 98 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 509 | 9913 | 98 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 838 | 9913 | 98 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1740 | 9913 | 98 | 125I-HEAT | -1995 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 119570 | 9933 | 96 | 3H-PRAZOSIN | -4570 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 2233 | 9933 | 96 | 3H-PRAZOSIN | -4570 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 953 | 9933 | 96 | 3H-PRAZOSIN | -4570 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| CHEMBL301265 | 9933 | 96 | 3H-PRAZOSIN | -4570 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| DB00413 | 9933 | 96 | 3H-PRAZOSIN | -4570 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | |||
| 2 | 10035 | 23 | 3H-PRAZOSIN | -2089 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
| 54562 | 10035 | 23 | 3H-PRAZOSIN | -2089 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
| CHEMBL240773 | 10035 | 23 | 3H-PRAZOSIN | -2089 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 2 | 1 | 2 | 2.0 | CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2 | None | |||
| 2402 | 10143 | 62 | 3H-PRAZOSIN | -549 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 5095 | 10143 | 62 | 3H-PRAZOSIN | -549 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 7295 | 10143 | 62 | 3H-PRAZOSIN | -549 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| CHEMBL589 | 10143 | 62 | 3H-PRAZOSIN | -549 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| DB00268 | 10143 | 62 | 3H-PRAZOSIN | -549 | 24 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 260 | 7 | 1 | 2 | 3.5 | CCCN(CCC)CCc1cccc2c1CC(=N2)O | None | |||
| 128563 | 10237 | 33 | 125I-HEAT | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
| 1666 | 10237 | 33 | 125I-HEAT | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
| CHEMBL445332 | 10237 | 33 | 125I-HEAT | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
| DB12327 | 10237 | 33 | 125I-HEAT | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | |||
| 6917970 | 10463 | 61 | 3H-PRAZOSIN | -2290 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| 8370 | 10463 | 61 | 3H-PRAZOSIN | -2290 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| CHEMBL487387 | 10463 | 61 | 3H-PRAZOSIN | -2290 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | |||
| 2662 | 18156 | 131 | 3H-PRAZOSIN | -41 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | |||
| CHEMBL118 | 18156 | 131 | 3H-PRAZOSIN | -41 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | |||
| 5090 | 22333 | 106 | 3H-PRAZOSIN | -1348 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| CHEMBL122 | 22333 | 106 | 3H-PRAZOSIN | -1348 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 | None | |||
| 10297 | 33885 | 30 | 125I-HEAT | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
| CHEMBL136560 | 33885 | 30 | 125I-HEAT | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | |||
| 127151 | 42104 | 18 | 3H-PRAZOSIN | -1584 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 313 | 6 | 1 | 4 | 3.2 | CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 | None | |||
| 3022645 | 42104 | 18 | 3H-PRAZOSIN | -1584 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 313 | 6 | 1 | 4 | 3.2 | CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 | None | |||
| CHEMBL14370 | 42104 | 18 | 3H-PRAZOSIN | -1584 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 313 | 6 | 1 | 4 | 3.2 | CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 | None | |||
| 156391 | 53574 | 99 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
| CHEMBL1200806 | 53574 | 99 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
| CHEMBL154 | 53574 | 99 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | |||
| 10624 | 77075 | 19 | 125I-HEAT | -776 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
| 138543650 | 77075 | 19 | 125I-HEAT | -776 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
| CHEMBL194378 | 77075 | 19 | 125I-HEAT | -776 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | |||
| 2244 | 101008 | 100 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | |||
| CHEMBL25 | 101008 | 100 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | |||
| 104870 | 105656 | 47 | 3H-PRAZOSIN | -22 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 5374 | 105656 | 47 | 3H-PRAZOSIN | -22 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| CHEMBL279085 | 105656 | 47 | 3H-PRAZOSIN | -22 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 3663 | 106743 | 83 | 3H-PRAZOSIN | -288 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | |||
| CHEMBL286494 | 106743 | 83 | 3H-PRAZOSIN | -288 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | |||
| 1615 | 174570 | 24 | 125I-HEAT | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL43048 | 174570 | 24 | 125I-HEAT | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | |||
| 5280343 | 195054 | 124 | 3H-PRAZOSIN | -147 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
| CHEMBL1520590 | 195054 | 124 | 3H-PRAZOSIN | -147 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
| CHEMBL50 | 195054 | 124 | 3H-PRAZOSIN | -147 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | |||
| 3672 | 199312 | 136 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | |||
| CHEMBL521 | 199312 | 136 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | None | |||
| 54676228 | 200394 | 112 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | |||
| CHEMBL527 | 200394 | 112 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | |||
| 2771 | 201796 | 74 | 3H-PRAZOSIN | -9 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| CHEMBL1200781 | 201796 | 74 | 3H-PRAZOSIN | -9 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| CHEMBL549 | 201796 | 74 | 3H-PRAZOSIN | -9 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| 4495 | 203314 | 92 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | |||
| CHEMBL56367 | 203314 | 92 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | |||
| 54677470 | 207330 | 115 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | |||
| CHEMBL1256873 | 207330 | 115 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | |||
| CHEMBL599 | 207330 | 115 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | |||
| 162265 | 209053 | 22 | 125I-HEAT | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4786 | 209053 | 22 | 125I-HEAT | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| CHEMBL61006 | 209053 | 22 | 125I-HEAT | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 5281600 | 209804 | 92 | 3H-PRAZOSIN | -275 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | |||
| CHEMBL63354 | 209804 | 92 | 3H-PRAZOSIN | -275 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | |||
| 5656 | 209845 | 87 | 3H-PRAZOSIN | -25 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
| CHEMBL637 | 209845 | 87 | 3H-PRAZOSIN | -25 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | |||
| 202478 | 211466 | 20 | 125I-HEAT | -52 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | |||
| CHEMBL7393 | 211466 | 20 | 125I-HEAT | -52 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | |||
| 5311189 | 211620 | 11 | 125I-HEAT | -112 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | |||
| CHEMBL7549 | 211620 | 11 | 125I-HEAT | -112 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | |||
| 4158 | 212120 | 21 | 125I-HEAT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| CHEMBL1722 | 212120 | 21 | 125I-HEAT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| CHEMBL796 | 212120 | 21 | 125I-HEAT | -141 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | |||
| 4054 | 212280 | 72 | 125I-HEAT | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
| CHEMBL1699 | 212280 | 72 | 125I-HEAT | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
| CHEMBL807 | 212280 | 72 | 125I-HEAT | -1 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | |||
| 119607 | 212982 | 113 | 3H-PRAZOSIN | -97 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | |||
| CHEMBL865 | 212982 | 113 | 3H-PRAZOSIN | -97 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | None | |||
| 3337 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 11954224 | 222732 | 0 | 125I-HEAT | -4073 | 59 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
| None | 222772 | 0 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | |||
| 25137849 | 222958 | 0 | 125I-HEAT | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| 71290 | 222958 | 0 | 125I-HEAT | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | |||
| None | 223090 | 0 | 125I-HEAT | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | |||
| None | 223091 | 0 | 125I-HEAT | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | |||
| None | 223092 | 0 | 125I-HEAT | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | |||
| None | 223093 | 0 | 125I-HEAT | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | |||
| None | 223094 | 0 | 125I-HEAT | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | |||
| None | 223095 | 0 | 125I-HEAT | -1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | |||
| None | 223096 | 0 | 125I-HEAT | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | |||
| None | 223097 | 0 | 125I-HEAT | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | |||
| None | 223104 | 0 | 125I-HEAT | -13 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | |||
| 1576 | 223105 | 0 | 125I-HEAT | -16 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | |||
| None | 223106 | 0 | 3H-PRAZOSIN | -16 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | |||
| 4978 | 223107 | 0 | 3H-PRAZOSIN | -7 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | |||
| None | 223108 | 0 | 3H-PRAZOSIN | -3 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | |||
| None | 223109 | 0 | 3H-PRAZOSIN | -281 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | |||
| None | 223110 | 0 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | |||
| None | 223121 | 0 | 3H-PRAZOSIN | -1862 | 19 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 246 | 2 | 1 | 4 | 1.6 | CCCN1CCCC2C1CC3=CN=C(N=C3C2)N | None | |||
| 135269 | 223168 | 0 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | |||
| 23681059 | 223169 | 0 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | |||
| 5018304 | 223170 | 0 | 3H-PRAZOSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | |||
| 84003 | 223171 | 0 | 3H-PRAZOSIN | -1 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | |||
| 123619 | 223172 | 0 | 3H-PRAZOSIN | -1412 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | |||
| 119828 | 223173 | 0 | 3H-PRAZOSIN | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | |||
| None | 223174 | 0 | 3H-PRAZOSIN | -7 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | |||
| None | 223268 | 0 | 3H-PRAZOSIN | -4570 | 26 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | |||
| 16041451 | 104584 | 0 | UNDEFINED | -1 | 4 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL271913 | 104584 | 0 | UNDEFINED | -1 | 4 | Human | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| 135409468 | 8816 | 69 | 3H-PRAZOSIN | -37 | 39 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| 333 | 8816 | 69 | 3H-PRAZOSIN | -37 | 39 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| CHEMBL845 | 8816 | 69 | 3H-PRAZOSIN | -37 | 39 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | |||
| 2105 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 47811 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 48 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| CHEMBL531 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| DB01186 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 135398745 | 9688 | 112 | 125I-HEAT | -24 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 9688 | 112 | 125I-HEAT | -24 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 9688 | 112 | 125I-HEAT | -24 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 9688 | 112 | 125I-HEAT | -24 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 16041091 | 101996 | 0 | UNDEFINED | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| CHEMBL256041 | 101996 | 0 | UNDEFINED | -1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| 16041263 | 102222 | 0 | UNDEFINED | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| CHEMBL257098 | 102222 | 0 | UNDEFINED | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| 11954259 | 222758 | 0 | 3H-PRAZOSIN | -38 | 43 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041090 | 102168 | 0 | UNDEFINED | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| CHEMBL256853 | 102168 | 0 | UNDEFINED | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| 2142 | 9870 | 58 | 125I-HEAT | -12 | 37 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 9870 | 58 | 125I-HEAT | -12 | 37 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 9870 | 58 | 125I-HEAT | -12 | 37 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 9870 | 58 | 125I-HEAT | -12 | 37 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 9870 | 58 | 125I-HEAT | -12 | 37 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 9870 | 58 | 125I-HEAT | -12 | 37 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 135398745 | 9688 | 112 | 3H-PRAZOSIN | -24 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 9688 | 112 | 3H-PRAZOSIN | -24 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 9688 | 112 | 3H-PRAZOSIN | -24 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 9688 | 112 | 3H-PRAZOSIN | -24 | 65 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 185 | 10778 | 60 | 3H-PRAZOSIN | -1230 | 37 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| 5311271 | 10778 | 60 | 3H-PRAZOSIN | -1230 | 37 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| CHEMBL74355 | 10778 | 60 | 3H-PRAZOSIN | -1230 | 37 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| DB16351 | 10778 | 60 | 3H-PRAZOSIN | -1230 | 37 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| 1353 | 8692 | 93 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 1353 | 8692 | 93 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 8692 | 93 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 8692 | 93 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 8692 | 93 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 8692 | 93 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 8692 | 93 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 8692 | 93 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 8692 | 93 | 125I-HEAT | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 8692 | 93 | 3H-PRAZOSIN | -10 | 85 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 11954259 | 222758 | 0 | 125I-HEAT | -38 | 43 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2803 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 41 | 8440 | 0 | 3H-PRAZOSIN | -199 | 17 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| 72036 | 8440 | 0 | 3H-PRAZOSIN | -199 | 17 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| CHEMBL1765294 | 8440 | 0 | 3H-PRAZOSIN | -199 | 17 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| 104870 | 105656 | 47 | 3H-PRAZOSIN | -22 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 5374 | 105656 | 47 | 3H-PRAZOSIN | -22 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| CHEMBL279085 | 105656 | 47 | 3H-PRAZOSIN | -22 | 21 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 185 | 10778 | 60 | 125I-HEAT | -1230 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| 5311271 | 10778 | 60 | 125I-HEAT | -1230 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| CHEMBL74355 | 10778 | 60 | 125I-HEAT | -1230 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| DB16351 | 10778 | 60 | 125I-HEAT | -1230 | 37 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 7153 | 104796 | 77 | 3H-PRAZOSIN | -72 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | |||
| CHEMBL272942 | 104796 | 77 | 3H-PRAZOSIN | -72 | 33 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 214 | 3 | 1 | 2 | 2.5 | Cc1cc(Cl)ccc1OC(C)C(=O)O | None | |||
| 16041628 | 162129 | 0 | UNDEFINED | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| CHEMBL403280 | 162129 | 0 | UNDEFINED | -1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 6102 | 222821 | 0 | 125I-HEAT | 6 | 4 | Rat | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 167 | 3 | 3 | 3 | 0.6 | CNCC(C1=CC(=CC=C1)O)O | None | |||
| 16041091 | 101996 | 0 | UNDEFINED | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| CHEMBL256041 | 101996 | 0 | UNDEFINED | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 213 | 10625 | 55 | 125I-HEAT | -4 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 2717 | 10625 | 55 | 125I-HEAT | -4 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 5533 | 10625 | 55 | 125I-HEAT | -4 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| CHEMBL621 | 10625 | 55 | 125I-HEAT | -4 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| DB00656 | 10625 | 55 | 125I-HEAT | -4 | 43 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 16040907 | 104659 | 0 | UNDEFINED | 2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL272340 | 104659 | 0 | UNDEFINED | 2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| 102 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 16041265 | 102112 | 0 | UNDEFINED | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| CHEMBL256597 | 102112 | 0 | UNDEFINED | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 444 | 213445 | 53 | 3H-PRAZOSIN | -3311 | 18 | Human | 4.8 | pKi | = | 4.8 | Binding | PDSP KiDatabase | 239 | 3 | 1 | 2 | 3.3 | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 | None | |||
| CHEMBL894 | 213445 | 53 | 3H-PRAZOSIN | -3311 | 18 | Human | 4.8 | pKi | = | 4.8 | Binding | PDSP KiDatabase | 239 | 3 | 1 | 2 | 3.3 | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 | None | |||
| None | 223120 | 0 | 3H-PRAZOSIN | -288 | 19 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2865 | 10915 | 73 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 2865 | 10915 | 73 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 10915 | 73 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 10915 | 73 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 10915 | 73 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 10915 | 73 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 10915 | 73 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 10915 | 73 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 10915 | 73 | 125I-HEAT | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 10915 | 73 | 3H-PRAZOSIN | -37 | 53 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 104911 | 222798 | 0 | 3H-PRAZOSIN | -50 | 37 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | |||
| 186 | 8588 | 52 | 125I-HEAT | -309 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | |||
| 71781 | 8588 | 52 | 125I-HEAT | -309 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | |||
| CHEMBL18972 | 8588 | 52 | 125I-HEAT | -309 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 3.7 | OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 135398737 | 7745 | 93 | UNDEFINED | -2 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 7745 | 93 | UNDEFINED | -2 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 7745 | 93 | UNDEFINED | -2 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 7745 | 93 | UNDEFINED | -2 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 7745 | 93 | UNDEFINED | -2 | 90 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 104911 | 222798 | 0 | 3H-PRAZOSIN | -50 | 37 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | |||
| 16362 | 9899 | 71 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| 2172 | 9899 | 71 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| 90 | 9899 | 71 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| CHEMBL1423 | 9899 | 71 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| DB01100 | 9899 | 71 | 3H-PRAZOSIN | -1047 | 29 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | None | |||
| 183782 | 10171 | 20 | 3H-PRAZOSIN | -47 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 237 | 10171 | 20 | 3H-PRAZOSIN | -47 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| CHEMBL85251 | 10171 | 20 | 3H-PRAZOSIN | -47 | 14 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 102 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 10899 | 48 | 3H-PRAZOSIN | -363 | 49 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 68602 | 211905 | 80 | 3H-PRAZOSIN | -37 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| CHEMBL77921 | 211905 | 80 | 3H-PRAZOSIN | -37 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| 25058166 | 222739 | 0 | 3H-PRAZOSIN | -177 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
| 6852389 | 222739 | 0 | 3H-PRAZOSIN | -177 | 26 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 222737 | 0 | 125I-HEAT | -13 | 19 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 421 | 9 | 1 | 6 | 4.3 | COC1=C(C(=CC=C1)OC)OCCNCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 115237 | 62359 | 119 | 3H-PRAZOSIN | -10 | 54 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 62359 | 119 | 3H-PRAZOSIN | -10 | 54 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 219050 | 10146 | 25 | 3H-PRAZOSIN | -11 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| 52 | 10146 | 25 | 3H-PRAZOSIN | -11 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| CHEMBL431367 | 10146 | 25 | 3H-PRAZOSIN | -11 | 21 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 346 | 6 | 2 | 2 | 5.0 | Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2 | None | |||
| 16041265 | 102112 | 0 | UNDEFINED | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| CHEMBL256597 | 102112 | 0 | UNDEFINED | 1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041451 | 104584 | 0 | UNDEFINED | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL271913 | 104584 | 0 | UNDEFINED | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| 16041628 | 162129 | 0 | UNDEFINED | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| CHEMBL403280 | 162129 | 0 | UNDEFINED | -1 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1588 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 28864 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 43 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL157138 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB00589 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 16041090 | 102168 | 0 | UNDEFINED | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| CHEMBL256853 | 102168 | 0 | UNDEFINED | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2470 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3300 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 5265 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 99 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL267930 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 1209 | 8439 | 75 | 3H-PRAZOSIN | -371 | 32 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| 203 | 8439 | 75 | 3H-PRAZOSIN | -371 | 32 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| 3386 | 8439 | 75 | 3H-PRAZOSIN | -371 | 32 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| CHEMBL41 | 8439 | 75 | 3H-PRAZOSIN | -371 | 32 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| DB00472 | 8439 | 75 | 3H-PRAZOSIN | -371 | 32 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | |||
| 446220 | 140299 | 14 | 125I-HEAT | -371 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | |||
| CHEMBL370805 | 140299 | 14 | 125I-HEAT | -371 | 45 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 124 | 9755 | 47 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 9755 | 47 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 9755 | 47 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 9755 | 47 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 9755 | 47 | 125I-HEAT | -338 | 32 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2202 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 4850 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 49 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL1371770 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| DB12478 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 2337 | 10030 | 77 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 2337 | 10030 | 77 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 10030 | 77 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 10030 | 77 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 10030 | 77 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 10030 | 77 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 10030 | 77 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 10030 | 77 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 10030 | 77 | 125I-HEAT | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 10030 | 77 | 3H-PRAZOSIN | -2 | 62 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 16041264 | 102218 | 0 | UNDEFINED | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| CHEMBL257077 | 102218 | 0 | UNDEFINED | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2995 | 211184 | 53 | 3H-PRAZOSIN | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | |||
| CHEMBL1696 | 211184 | 53 | 3H-PRAZOSIN | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | |||
| CHEMBL72 | 211184 | 53 | 3H-PRAZOSIN | -3 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 214 | 10632 | 58 | 3H-PRAZOSIN | -28 | 30 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 2740 | 10632 | 58 | 3H-PRAZOSIN | -28 | 30 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 5566 | 10632 | 58 | 3H-PRAZOSIN | -28 | 30 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 66064 | 10632 | 58 | 3H-PRAZOSIN | -28 | 30 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL422 | 10632 | 58 | 3H-PRAZOSIN | -28 | 30 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00831 | 10632 | 58 | 3H-PRAZOSIN | -28 | 30 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 242 | 7258 | 124 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 7258 | 124 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 7258 | 124 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 7258 | 124 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 7258 | 124 | 125I-HEAT | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 16041449 | 101995 | 0 | UNDEFINED | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| CHEMBL256040 | 101995 | 0 | UNDEFINED | 1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 242 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 138107169 | 222731 | 0 | 125I-HEAT | -676 | 23 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 22831402 | 222731 | 0 | 125I-HEAT | -676 | 23 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O | None | |||
| 242 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 34 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 60795 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL1112 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB01238 | 7258 | 124 | 3H-PRAZOSIN | -18 | 51 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 16041629 | 102221 | 0 | UNDEFINED | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| CHEMBL257097 | 102221 | 0 | UNDEFINED | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041628 | 162129 | 0 | UNDEFINED | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| CHEMBL403280 | 162129 | 0 | UNDEFINED | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| 1830 | 9368 | 44 | 3H-PRAZOSIN | -467 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| 207 | 9368 | 44 | 3H-PRAZOSIN | -467 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| 23897 | 9368 | 44 | 3H-PRAZOSIN | -467 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| CHEMBL460 | 9368 | 44 | 3H-PRAZOSIN | -467 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| DB01618 | 9368 | 44 | 3H-PRAZOSIN | -467 | 28 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | |||
| 3337 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 65801 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 66264 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| 91452 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| CHEMBL87493 | 213146 | 27 | 125I-HEAT | -245 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)Cc1cccc(C(F)(F)F)c1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 68617 | 212306 | 62 | 3H-PRAZOSIN | -40 | 26 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| CHEMBL1709 | 212306 | 62 | 3H-PRAZOSIN | -40 | 26 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| CHEMBL809 | 212306 | 62 | 3H-PRAZOSIN | -40 | 26 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | |||
| None | 223120 | 0 | 3H-PRAZOSIN | -288 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 451 | 8 | 2 | 4 | 3.2 | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C | None | |||
| 1353 | 8692 | 93 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 8692 | 93 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 8692 | 93 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 8692 | 93 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 8692 | 93 | 3H-PRAZOSIN | -19 | 85 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 16041264 | 102218 | 0 | UNDEFINED | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| CHEMBL257077 | 102218 | 0 | UNDEFINED | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| 2105 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 47811 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 48 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| CHEMBL531 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| DB01186 | 9828 | 37 | 3H-PRAZOSIN | -72 | 32 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 16041263 | 102222 | 0 | UNDEFINED | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| CHEMBL257098 | 102222 | 0 | UNDEFINED | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041628 | 162129 | 0 | UNDEFINED | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| CHEMBL403280 | 162129 | 0 | UNDEFINED | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 | None | |||
| 3157 | 8252 | 71 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 7170 | 8252 | 71 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 954 | 8252 | 71 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| CHEMBL707 | 8252 | 71 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| DB00590 | 8252 | 71 | UNDEFINED | -1 | 12 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 2398 | 7741 | 62 | 3H-PRAZOSIN | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 2801 | 7741 | 62 | 3H-PRAZOSIN | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 701 | 7741 | 62 | 3H-PRAZOSIN | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| CHEMBL415 | 7741 | 62 | 3H-PRAZOSIN | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| DB01242 | 7741 | 62 | 3H-PRAZOSIN | -1 | 29 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2601 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 443951 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 56 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL73151 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB13399 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 16041092 | 102155 | 0 | UNDEFINED | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| CHEMBL256804 | 102155 | 0 | UNDEFINED | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| None | 223405 | 0 | UNDEFINED | 11 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 359 | 1 | 2 | 3 | 5.3 | CC1=CC=CC=C1N2C3=CC=CC=C3C(CC(C4=CC=CC=C42)(C)O)(C)O | None | |||
| 16041449 | 101995 | 0 | UNDEFINED | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| CHEMBL256040 | 101995 | 0 | UNDEFINED | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2601 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 443951 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 56 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL73151 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB13399 | 10552 | 33 | 3H-PRAZOSIN | -5 | 21 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1613 | 9127 | 53 | 125I-HEAT | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 1613 | 9127 | 53 | 3H-PRAZOSIN | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 205 | 9127 | 53 | 125I-HEAT | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 205 | 9127 | 53 | 3H-PRAZOSIN | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 3964 | 9127 | 53 | 125I-HEAT | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| 3964 | 9127 | 53 | 3H-PRAZOSIN | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| CHEMBL831 | 9127 | 53 | 125I-HEAT | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| CHEMBL831 | 9127 | 53 | 3H-PRAZOSIN | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| DB00408 | 9127 | 53 | 125I-HEAT | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| DB00408 | 9127 | 53 | 3H-PRAZOSIN | -8 | 44 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2803 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 7742 | 58 | 3H-PRAZOSIN | -12 | 19 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 102 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 1427 | 8794 | 54 | 3H-PRAZOSIN | -3 | 27 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 357 | 8794 | 54 | 3H-PRAZOSIN | -3 | 27 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| 3696 | 8794 | 54 | 3H-PRAZOSIN | -3 | 27 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| CHEMBL11 | 8794 | 54 | 3H-PRAZOSIN | -3 | 27 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| DB00458 | 8794 | 54 | 3H-PRAZOSIN | -3 | 27 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223018 | 0 | 125I-HEAT | -13489 | 29 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | |||
| 16041265 | 102112 | 0 | UNDEFINED | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| CHEMBL256597 | 102112 | 0 | UNDEFINED | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| 16041451 | 104584 | 0 | UNDEFINED | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL271913 | 104584 | 0 | UNDEFINED | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1816 | 9318 | 102 | 3H-PRAZOSIN | -794 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| 4205 | 9318 | 102 | 3H-PRAZOSIN | -794 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| 7241 | 9318 | 102 | 3H-PRAZOSIN | -794 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| CHEMBL654 | 9318 | 102 | 3H-PRAZOSIN | -794 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| DB00370 | 9318 | 102 | 3H-PRAZOSIN | -794 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 265 | 0 | 0 | 3 | 2.5 | CN1CCN2C(C1)c1ccccc1Cc1c2nccc1 | None | |||
| 16040907 | 104659 | 0 | UNDEFINED | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL272340 | 104659 | 0 | UNDEFINED | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2771 | 201796 | 74 | 3H-PRAZOSIN | -9 | 27 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| CHEMBL1200781 | 201796 | 74 | 3H-PRAZOSIN | -9 | 27 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| CHEMBL549 | 201796 | 74 | 3H-PRAZOSIN | -9 | 27 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| None | 222806 | 0 | 3H-PRAZOSIN | -251 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 453 | 9 | 2 | 6 | 2.6 | COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N.Cl | None | |||
| 180 | 7189 | 56 | 3H-PRAZOSIN | -23 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 200 | 7189 | 56 | 3H-PRAZOSIN | -23 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 2160 | 7189 | 56 | 3H-PRAZOSIN | -23 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| CHEMBL629 | 7189 | 56 | 3H-PRAZOSIN | -23 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| DB00321 | 7189 | 56 | 3H-PRAZOSIN | -23 | 40 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 31101 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 35 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 403 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| CHEMBL493 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| DB01200 | 7516 | 40 | 3H-PRAZOSIN | -7 | 35 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 46780481 | 114308 | 20 | 3H-PRAZOSIN | -25 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 114308 | 20 | 3H-PRAZOSIN | -25 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 114308 | 20 | 3H-PRAZOSIN | -25 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3544974 | 114308 | 20 | 3H-PRAZOSIN | -25 | 53 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 1753 | 9282 | 28 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 483 | 9282 | 28 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| 6082 | 9282 | 28 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| CHEMBL524 | 9282 | 28 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| DB00723 | 9282 | 28 | None | 1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 104911 | 222798 | 0 | 3H-PRAZOSIN | -50 | 37 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | |||
| 1210 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 1213 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 2725 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 33036 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 4411 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 616 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 6976 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| 716121 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL1201353 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL1554789 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| CHEMBL505 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| DB01114 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| DB13679 | 7705 | 51 | None | -602 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C | None | |||
| None | 223020 | 0 | 125I-BE2254 | 2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 609 | 10 | 1 | 8 | 6.0 | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC | None | |||
| 16041630 | 104323 | 0 | UNDEFINED | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| CHEMBL270589 | 104323 | 0 | UNDEFINED | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 3823 | 56995 | 42 | None | 1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 76973198 | 56995 | 42 | None | 1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| CHEMBL157101 | 56995 | 42 | None | 1 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 16041263 | 102222 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| CHEMBL257098 | 102222 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1890 | 9535 | 49 | 3H-PRAZOSIN | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | |||
| 4449 | 9535 | 49 | 3H-PRAZOSIN | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | |||
| 7247 | 9535 | 49 | 3H-PRAZOSIN | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | |||
| CHEMBL623 | 9535 | 49 | 3H-PRAZOSIN | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | |||
| DB01149 | 9535 | 49 | 3H-PRAZOSIN | -7 | 16 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | None | |||
| 16041263 | 102222 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| CHEMBL257098 | 102222 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2389 | 10104 | 118 | 125I-HEAT | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 2389 | 10104 | 118 | 3H-PRAZOSIN | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 10104 | 118 | 125I-HEAT | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 10104 | 118 | 3H-PRAZOSIN | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 10104 | 118 | 125I-HEAT | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 10104 | 118 | 3H-PRAZOSIN | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 10104 | 118 | 125I-HEAT | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 10104 | 118 | 3H-PRAZOSIN | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 10104 | 118 | 125I-HEAT | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 10104 | 118 | 3H-PRAZOSIN | -24 | 66 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 100 | 10577 | 58 | 3H-PRAZOSIN | -1 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 10577 | 58 | 3H-PRAZOSIN | -1 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 10577 | 58 | 3H-PRAZOSIN | -1 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 10577 | 58 | 3H-PRAZOSIN | -1 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 10577 | 58 | 3H-PRAZOSIN | -1 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 162265 | 209053 | 22 | None | -5 | 44 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 4786 | 209053 | 22 | None | -5 | 44 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| CHEMBL61006 | 209053 | 22 | None | -5 | 44 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | |||
| 16041264 | 102218 | 0 | UNDEFINED | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| CHEMBL257077 | 102218 | 0 | UNDEFINED | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 470 | 6 | 2 | 4 | 5.4 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2812 | 11551 | 101 | None | -40 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| CHEMBL104 | 11551 | 101 | None | -40 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2162 | 48288 | 100 | None | -4 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | |||
| CHEMBL1491 | 48288 | 100 | None | -4 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | None | |||
| 441383 | 27105 | 57 | None | -9 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| CHEMBL1306 | 27105 | 57 | None | -9 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | |||
| 448537 | 167029 | 89 | None | -33 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
| CHEMBL411 | 167029 | 89 | None | -33 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | None | |||
| 16041630 | 104323 | 0 | UNDEFINED | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| CHEMBL270589 | 104323 | 0 | UNDEFINED | -2 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| 3198 | 212292 | 76 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| CHEMBL1201049 | 212292 | 76 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| CHEMBL808 | 212292 | 76 | None | -30 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1588 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 28864 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 43 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL157138 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB00589 | 9105 | 27 | 3H-PRAZOSIN | -20 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 10219 | 195575 | 37 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | |||
| CHEMBL493439 | 195575 | 37 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | |||
| CHEMBL50588 | 195575 | 37 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 480 | 7 | 1 | 6 | 4.9 | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | None | |||
| 1599 | 9120 | 50 | None | -6 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| 3955 | 9120 | 50 | None | -6 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| 7215 | 9120 | 50 | None | -6 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL841 | 9120 | 50 | None | -6 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| DB00836 | 9120 | 50 | None | -6 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | |||
| 2291 | 9958 | 58 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 2561 | 9958 | 58 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 4932 | 9958 | 58 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| CHEMBL631 | 9958 | 58 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| DB01182 | 9958 | 58 | None | 1 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 164739 | 7949 | 40 | None | 446 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | |||
| 4482 | 7949 | 40 | None | 446 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | |||
| 508 | 7949 | 40 | None | 446 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | |||
| CHEMBL677 | 7949 | 40 | None | 446 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | |||
| DB06707 | 7949 | 40 | None | 446 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1016 | 10519 | 78 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 2561 | 10519 | 78 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 2733526 | 10519 | 78 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 5384 | 10519 | 78 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| CHEMBL83 | 10519 | 78 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| DB00675 | 10519 | 78 | None | -22 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | |||
| 3652 | 53018 | 70 | None | 1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | |||
| CHEMBL1535 | 53018 | 70 | None | 1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | |||
| 1530 | 8963 | 50 | None | -104 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| 3827 | 8963 | 50 | None | -104 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| 7206 | 8963 | 50 | None | -104 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| CHEMBL534 | 8963 | 50 | None | -104 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| DB00920 | 8963 | 50 | None | -104 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 4189 | 213701 | 96 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| CHEMBL1559 | 213701 | 96 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| CHEMBL91 | 213701 | 96 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| 57469 | 25638 | 125 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | |||
| CHEMBL1282 | 25638 | 125 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | |||
| 104870 | 105656 | 47 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| 5374 | 105656 | 47 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| CHEMBL279085 | 105656 | 47 | None | -22 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 209 | 2 | 1 | 4 | 1.3 | C=CCN1CCc2nc(N)sc2CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1935 | 10506 | 97 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
| 2551 | 10506 | 97 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
| 6687 | 10506 | 97 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
| CHEMBL95 | 10506 | 97 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
| DB00382 | 10506 | 97 | None | 6 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | |||
| 237 | 211644 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL546257 | 211644 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL554190 | 211644 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| CHEMBL7568 | 211644 | 48 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | |||
| 41 | 8440 | 0 | 3H-PRAZOSIN | -199 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| 72036 | 8440 | 0 | 3H-PRAZOSIN | -199 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| CHEMBL1765294 | 8440 | 0 | 3H-PRAZOSIN | -199 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 195 | 0 | 1 | 3 | 0.9 | Fc1cccc2c1O[C@H]1CNC[C@@H]1O2 | None | |||
| 16041449 | 101995 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| CHEMBL256040 | 101995 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| 16041092 | 102155 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| CHEMBL256804 | 102155 | 0 | UNDEFINED | 1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| None | 223020 | 0 | 125I-BE2254 | 2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 609 | 10 | 1 | 8 | 6.0 | CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC | None | |||
| 16041629 | 102221 | 0 | UNDEFINED | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| CHEMBL257097 | 102221 | 0 | UNDEFINED | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 | None | |||
| 16041630 | 104323 | 0 | UNDEFINED | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| CHEMBL270589 | 104323 | 0 | UNDEFINED | -2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1028 | 7079 | 71 | 125I-HEAT | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 7079 | 71 | 125I-HEAT | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 7079 | 71 | 125I-HEAT | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 7079 | 71 | 125I-HEAT | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 7079 | 71 | 125I-HEAT | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 7079 | 71 | 125I-HEAT | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 4508 | 9913 | 98 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 4866774 | 9913 | 98 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 509 | 9913 | 98 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| 838 | 9913 | 98 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1740 | 9913 | 98 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 11057 | 182928 | 23 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| 3468 | 182928 | 23 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| CHEMBL459265 | 182928 | 23 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| CHEMBL64894 | 182928 | 23 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | |||
| 3191 | 109635 | 97 | None | -14 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| CHEMBL305660 | 109635 | 97 | None | -14 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | |||
| 2435 | 7509 | 100 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 395 | 7509 | 100 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 520 | 7509 | 100 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 5386 | 7509 | 100 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| CHEMBL844 | 7509 | 100 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| DB00484 | 7509 | 100 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 1 | 2 | 5 | 1.8 | Brc1c(ccc2c1nccn2)NC1=NCCN1 | None | |||
| 2520 | 210787 | 70 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
| CHEMBL1280 | 210787 | 70 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
| CHEMBL6966 | 210787 | 70 | None | -1 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | |||
| 2105 | 9828 | 37 | None | -72 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 47811 | 9828 | 37 | None | -72 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 48 | 9828 | 37 | None | -72 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| CHEMBL531 | 9828 | 37 | None | -72 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| DB01186 | 9828 | 37 | None | -72 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | None | |||
| 2771 | 201796 | 74 | None | -9 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| CHEMBL1200781 | 201796 | 74 | None | -9 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| CHEMBL549 | 201796 | 74 | None | -9 | 27 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 324 | 5 | 0 | 3 | 3.8 | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 | None | |||
| 12057539 | 214820 | 42 | None | -11 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | |||
| 3661 | 214820 | 42 | None | -11 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | |||
| CHEMBL9751 | 214820 | 42 | None | -11 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | |||
| 16041265 | 102112 | 0 | UNDEFINED | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| CHEMBL256597 | 102112 | 0 | UNDEFINED | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 504 | 6 | 2 | 4 | 6.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cccc3Cl)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1443 | 8809 | 34 | None | -27 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 33625 | 8809 | 34 | None | -27 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 501 | 8809 | 34 | None | -27 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| CHEMBL279516 | 8809 | 34 | None | -27 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| DB08950 | 8809 | 34 | None | -27 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 2803 | 7742 | 58 | None | -12 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 7742 | 58 | None | -12 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 7742 | 58 | None | -12 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 7742 | 58 | None | -12 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 7742 | 58 | None | -12 | 19 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 6726 | 8063 | 51 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 7151 | 8063 | 51 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 749 | 8063 | 51 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL648 | 8063 | 51 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| DB01176 | 8063 | 51 | None | -11 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 33630 | 185736 | 99 | None | -10 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | |||
| CHEMBL47050 | 185736 | 99 | None | -10 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | |||
| 1547484 | 7727 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 654 | 7727 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 9072 | 7727 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL43064 | 7727 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| DB00568 | 7727 | 74 | None | -9 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 368 | 6 | 0 | 2 | 5.1 | c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | |||
| 1343 | 8670 | 62 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| 3519 | 8670 | 62 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| 522 | 8670 | 62 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| CHEMBL862 | 8670 | 62 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| DB01018 | 8670 | 62 | None | 3 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 245 | 2 | 2 | 1 | 1.3 | O=C(Cc1c(Cl)cccc1Cl)N=C(N)N | None | |||
| 2477 | 7532 | 59 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | |||
| 36 | 7532 | 59 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | |||
| 437 | 7532 | 59 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | |||
| CHEMBL49 | 7532 | 59 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | |||
| DB00490 | 7532 | 59 | None | -8 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 385 | 6 | 0 | 6 | 2.1 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 | None | |||
| 1028 | 7079 | 71 | None | -22 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 7079 | 71 | None | -22 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 7079 | 71 | None | -22 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 7079 | 71 | None | -22 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 7079 | 71 | None | -22 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 7079 | 71 | None | -22 | 30 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 3584 | 10549 | 64 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 10549 | 64 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 10549 | 64 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 10549 | 64 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 10549 | 64 | UNDEFINED | -1 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 4735 | 201894 | 96 | None | 6 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| CHEMBL361506 | 201894 | 96 | None | 6 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| CHEMBL55 | 201894 | 96 | None | 6 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | |||
| 2351 | 10059 | 64 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| 2820 | 10059 | 64 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| 5035 | 10059 | 64 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| CHEMBL81 | 10059 | 64 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| DB00481 | 10059 | 64 | None | -8 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | None | |||
| 12488 | 8438 | 56 | None | -10 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| 941361 | 8438 | 56 | None | -10 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| CHEMBL30008 | 8438 | 56 | None | -10 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| DB04841 | 8438 | 56 | None | -10 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 404 | 6 | 0 | 2 | 5.4 | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F | None | |||
| 124 | 9755 | 47 | None | -524 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 9755 | 47 | None | -524 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 9755 | 47 | None | -524 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 9755 | 47 | None | -524 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 9755 | 47 | None | -524 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 1212 | 8443 | 50 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 8443 | 50 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 8443 | 50 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 8443 | 50 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 8443 | 50 | 125I-HEAT | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 124 | 9755 | 47 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 2032 | 9755 | 47 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 4636 | 9755 | 47 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| CHEMBL762 | 9755 | 47 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| DB00935 | 9755 | 47 | None | -338 | 32 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | None | |||
| 1212 | 8443 | 50 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 8443 | 50 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 8443 | 50 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 8443 | 50 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 8443 | 50 | 3H-PRAZOSIN | -18 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 16041449 | 101995 | 0 | UNDEFINED | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| CHEMBL256040 | 101995 | 0 | UNDEFINED | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 538 | 6 | 2 | 4 | 6.7 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)CC1 | None | |||
| 1028 | 7079 | 71 | None | -17 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 7079 | 71 | None | -17 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 7079 | 71 | None | -17 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 7079 | 71 | None | -17 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 7079 | 71 | None | -17 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 7079 | 71 | None | -17 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 2202 | 9906 | 96 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 4850 | 9906 | 96 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 49 | 9906 | 96 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL1371770 | 9906 | 96 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| DB12478 | 9906 | 96 | None | -3 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 11154555 | 7587 | 62 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 5037 | 7587 | 62 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 7671 | 7587 | 62 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL2028019 | 7587 | 62 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| CHEMBL3085826 | 7587 | 62 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| DB06016 | 7587 | 62 | None | -28 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 5 | 1 | 3 | 4.3 | O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl | None | |||
| 4011 | 89183 | 49 | None | -19 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| CHEMBL21731 | 89183 | 49 | None | -19 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | |||
| 463 | 8187 | 22 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 6918097 | 8187 | 22 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 837 | 8187 | 22 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| CHEMBL2051956 | 8187 | 22 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| DB14068 | 8187 | 22 | None | -50 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 3952 | 8669 | 38 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5353646 | 8669 | 38 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5443 | 8669 | 38 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 5702063 | 8669 | 38 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| CHEMBL1331786 | 8669 | 38 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| CHEMBL420 | 8669 | 38 | None | -6 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | None | |||
| 191 | 7191 | 98 | None | -23 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 201 | 7191 | 98 | None | -23 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 2170 | 7191 | 98 | None | -23 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| CHEMBL1113 | 7191 | 98 | None | -23 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| DB00543 | 7191 | 98 | None | -23 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | |||
| 2803 | 7742 | 58 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 516 | 7742 | 58 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 704 | 7742 | 58 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| CHEMBL134 | 7742 | 58 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| DB00575 | 7742 | 58 | None | -2 | 19 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | None | |||
| 277 | 8083 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 2913 | 8083 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 765 | 8083 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| CHEMBL516 | 8083 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| DB00434 | 8083 | 62 | None | -42 | 50 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | |||
| 1971 | 9641 | 38 | None | -6 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 2404 | 9641 | 38 | None | -6 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 4543 | 9641 | 38 | None | -6 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| CHEMBL445 | 9641 | 38 | None | -6 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| DB00540 | 9641 | 38 | None | -6 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2c1cccc2 | None | |||
| 3151 | 8244 | 97 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 945 | 8244 | 97 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 965 | 8244 | 97 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| CHEMBL219916 | 8244 | 97 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| DB01184 | 8244 | 97 | None | -77 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 425 | 5 | 2 | 5 | 3.4 | Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2 | None | |||
| 1443 | 8809 | 34 | None | -16 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 33625 | 8809 | 34 | None | -16 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 501 | 8809 | 34 | None | -16 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| CHEMBL279516 | 8809 | 34 | None | -16 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| DB08950 | 8809 | 34 | None | -16 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 135398745 | 9688 | 112 | UNDEFINED | -24 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 9688 | 112 | UNDEFINED | -24 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 9688 | 112 | UNDEFINED | -24 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 9688 | 112 | UNDEFINED | -24 | 65 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 15897 | 9637 | 0 | 125I-HEAT | -275 | 36 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 215 | 9637 | 0 | 125I-HEAT | -275 | 36 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| CHEMBL1979333 | 9637 | 0 | 125I-HEAT | -275 | 36 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1443 | 8809 | 34 | 125I-HEAT | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 33625 | 8809 | 34 | 125I-HEAT | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| 501 | 8809 | 34 | 125I-HEAT | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| CHEMBL279516 | 8809 | 34 | 125I-HEAT | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| DB08950 | 8809 | 34 | 125I-HEAT | -27 | 11 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | None | |||
| None | 223018 | 0 | 125I-HEAT | -13489 | 29 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | |||
| 16041091 | 101996 | 0 | UNDEFINED | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| CHEMBL256041 | 101996 | 0 | UNDEFINED | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| 68602 | 211905 | 80 | 3H-PRAZOSIN | -18 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| CHEMBL77921 | 211905 | 80 | 3H-PRAZOSIN | -18 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| 16041451 | 104584 | 0 | UNDEFINED | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL271913 | 104584 | 0 | UNDEFINED | -1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 500 | 7 | 2 | 5 | 5.4 | COc1ccc(Cl)cc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 25058166 | 222739 | 0 | 3H-PRAZOSIN | -177 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
| 6852389 | 222739 | 0 | 3H-PRAZOSIN | -177 | 26 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 267 | 0 | 2 | 3 | 2.9 | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 103 | 10925 | 61 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 10925 | 61 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 10925 | 61 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 10925 | 61 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 10925 | 61 | 125I-HEAT | -5 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 463 | 8187 | 22 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 6918097 | 8187 | 22 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 837 | 8187 | 22 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| CHEMBL2051956 | 8187 | 22 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| DB14068 | 8187 | 22 | None | -6 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | None | |||
| 228 | 7233 | 28 | None | -1 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| 33 | 7233 | 28 | None | -1 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| 6005 | 7233 | 28 | None | -1 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| CHEMBL53 | 7233 | 28 | None | -1 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| DB00714 | 7233 | 28 | None | -1 | 23 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 267 | 0 | 2 | 3 | 2.9 | CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O | None | |||
| 6075 | 156887 | 42 | None | -4 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | |||
| CHEMBL395110 | 156887 | 42 | None | -4 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | |||
| 102 | 10899 | 48 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 10899 | 48 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 10899 | 48 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 10899 | 48 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 10899 | 48 | None | -48 | 49 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 240 | 7731 | 43 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 2769 | 7731 | 43 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 44279790 | 7731 | 43 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 660 | 7731 | 43 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| CHEMBL1729 | 7731 | 43 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| CHEMBL560739 | 7731 | 43 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| DB00604 | 7731 | 43 | None | -5 | 25 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | None | |||
| 213 | 10625 | 55 | None | -4 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 2717 | 10625 | 55 | None | -4 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 5533 | 10625 | 55 | None | -4 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| CHEMBL621 | 10625 | 55 | None | -4 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| DB00656 | 10625 | 55 | None | -4 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | |||
| 36811 | 8236 | 37 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| 535 | 8236 | 37 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| 937 | 8236 | 37 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| CHEMBL926 | 8236 | 37 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| DB00841 | 8236 | 37 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 301 | 7 | 4 | 4 | 3.0 | CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O | None | |||
| 2142 | 9870 | 58 | None | -12 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 9870 | 58 | None | -12 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 9870 | 58 | None | -12 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 9870 | 58 | None | -12 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 9870 | 58 | None | -12 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 9870 | 58 | None | -12 | 37 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 1225 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| 3958 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| 667477 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| CHEMBL860 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| DB01142 | 8253 | 26 | None | -26 | 22 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | |||
| 2398 | 7741 | 62 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 2801 | 7741 | 62 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 701 | 7741 | 62 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| CHEMBL415 | 7741 | 62 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| DB01242 | 7741 | 62 | None | -1 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | None | |||
| 1960 | 9632 | 67 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 439260 | 9632 | 67 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 505 | 9632 | 67 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1437 | 9632 | 67 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00368 | 9632 | 67 | None | -10 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 2389 | 10104 | 118 | None | -24 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 10104 | 118 | None | -24 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 10104 | 118 | None | -24 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 10104 | 118 | None | -24 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 10104 | 118 | None | -24 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 133 | 9274 | 52 | None | -41 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| 1723 | 9274 | 52 | None | -41 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| 28693 | 9274 | 52 | None | -41 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| CHEMBL19215 | 9274 | 52 | None | -41 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| DB13520 | 9274 | 52 | None | -41 | 43 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | |||
| 2337 | 10030 | 77 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 10030 | 77 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 10030 | 77 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 10030 | 77 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 10030 | 77 | None | -2 | 62 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 2286 | 9957 | 51 | None | -8 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 4927 | 9957 | 51 | None | -8 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 7282 | 9957 | 51 | None | -8 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| CHEMBL643 | 9957 | 51 | None | -8 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| DB01069 | 9957 | 51 | None | -8 | 30 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | |||
| 135 | 9310 | 43 | None | -10 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 1796 | 9310 | 43 | None | -10 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| 4184 | 9310 | 43 | None | -10 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| CHEMBL6437 | 9310 | 43 | None | -10 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| DB06148 | 9310 | 43 | None | -10 | 56 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 1353 | 8692 | 93 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 8692 | 93 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 8692 | 93 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 8692 | 93 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 8692 | 93 | None | -10 | 85 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 1201549 | 7384 | 24 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 333 | 7384 | 24 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 7601 | 7384 | 24 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL1201203 | 7384 | 24 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| CHEMBL438151 | 7384 | 24 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| DB00245 | 7384 | 24 | None | -12 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | |||
| 135398745 | 9688 | 112 | None | -24 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 9688 | 112 | None | -24 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 9688 | 112 | None | -24 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 9688 | 112 | None | -24 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 1531 | 9046 | 69 | None | -14 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| 3869 | 9046 | 69 | None | -14 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| 7207 | 9046 | 69 | None | -14 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| CHEMBL429 | 9046 | 69 | None | -14 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| DB00598 | 9046 | 69 | None | -14 | 16 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | None | |||
| 2470 | 10425 | 50 | None | -389 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3300 | 10425 | 50 | None | -389 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 5265 | 10425 | 50 | None | -389 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 99 | 10425 | 50 | None | -389 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL267930 | 10425 | 50 | None | -389 | 58 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 135398737 | 7745 | 93 | None | -2 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 7745 | 93 | None | -2 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 7745 | 93 | None | -2 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 7745 | 93 | None | -2 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 7745 | 93 | None | -2 | 90 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 2142 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 4920903 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 502 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 5775 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| CHEMBL597 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| DB00692 | 9870 | 58 | None | -5 | 37 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | None | |||
| 1524 | 8962 | 96 | None | -8 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 197 | 8962 | 96 | None | -8 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 3822 | 8962 | 96 | None | -8 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 88 | 8962 | 96 | None | -8 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| CHEMBL51 | 8962 | 96 | None | -8 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| DB12465 | 8962 | 96 | None | -8 | 51 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | None | |||
| 135398737 | 7745 | 93 | 3H-PRAZOSIN | -3 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 7745 | 93 | 3H-PRAZOSIN | -3 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 7745 | 93 | 3H-PRAZOSIN | -3 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 7745 | 93 | 3H-PRAZOSIN | -3 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 7745 | 93 | 3H-PRAZOSIN | -3 | 90 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 26987 | 7736 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 6063 | 7736 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 671 | 7736 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| CHEMBL1626 | 7736 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| DB00283 | 7736 | 33 | None | -39 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | |||
| 2274 | 9947 | 58 | None | -5 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 4917 | 9947 | 58 | None | -5 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 7279 | 9947 | 58 | None | -5 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| CHEMBL728 | 9947 | 58 | None | -5 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| DB00433 | 9947 | 58 | None | -5 | 31 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | |||
| 5639 | 105671 | 75 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | None | |||
| CHEMBL279229 | 105671 | 75 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 7 | 1 | 8 | 0.7 | COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 179 | 7188 | 115 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 2159 | 7188 | 115 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 963 | 7188 | 115 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| CHEMBL243712 | 7188 | 115 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| DB06288 | 7188 | 115 | 3H-PRAZOSIN | -3090 | 50 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | |||
| 16041092 | 102155 | 0 | UNDEFINED | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| CHEMBL256804 | 102155 | 0 | UNDEFINED | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 | None | |||
| 16040907 | 104659 | 0 | UNDEFINED | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL272340 | 104659 | 0 | UNDEFINED | 2 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| 16041090 | 102168 | 0 | UNDEFINED | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| CHEMBL256853 | 102168 | 0 | UNDEFINED | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 15897 | 9637 | 0 | 125I-HEAT | -275 | 36 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 215 | 9637 | 0 | 125I-HEAT | -275 | 36 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| CHEMBL1979333 | 9637 | 0 | 125I-HEAT | -275 | 36 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | |||
| 68602 | 211905 | 80 | 3H-PRAZOSIN | -37 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| CHEMBL77921 | 211905 | 80 | 3H-PRAZOSIN | -37 | 8 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 200 | 2 | 1 | 1 | 3.2 | Cc1cccc(C(C)c2c[nH]cn2)c1C | None | |||
| 2247 | 7293 | 81 | None | -31 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 249 | 7293 | 81 | None | -31 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 2603 | 7293 | 81 | None | -31 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| CHEMBL296419 | 7293 | 81 | None | -31 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| DB00637 | 7293 | 81 | None | -31 | 42 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 1212 | 8443 | 50 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 204 | 8443 | 50 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 3372 | 8443 | 50 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| CHEMBL726 | 8443 | 50 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| DB00623 | 8443 | 50 | None | -18 | 65 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | |||
| 1588 | 9105 | 27 | None | -20 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 28864 | 9105 | 27 | None | -20 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 43 | 9105 | 27 | None | -20 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL157138 | 9105 | 27 | None | -20 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB00589 | 9105 | 27 | None | -20 | 44 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 2470 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3300 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 5265 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 99 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL267930 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 180 | 7189 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 200 | 7189 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 2160 | 7189 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| CHEMBL629 | 7189 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| DB00321 | 7189 | 56 | None | -23 | 40 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | |||
| 2470 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3300 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 5265 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 99 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL267930 | 10425 | 50 | 3H-PRAZOSIN | -309 | 58 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 134551 | 7146 | 27 | None | -10 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 271 | 7146 | 27 | None | -10 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 885 | 7146 | 27 | None | -10 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| CHEMBL1403281 | 7146 | 27 | None | -10 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 3033538 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| 7155 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| 781 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| CHEMBL1201216 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| DB00298 | 8101 | 39 | None | 1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | None | |||
| 2284 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 4926 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 7281 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| CHEMBL564 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| DB00420 | 9956 | 33 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | |||
| 115 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 2092 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 7109 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| CHEMBL709 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| DB00346 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 115 | 7131 | 71 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 2092 | 7131 | 71 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 7109 | 7131 | 71 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| CHEMBL709 | 7131 | 71 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| DB00346 | 7131 | 71 | None | -1 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | None | |||
| 11954224 | 222732 | 0 | None | -4073 | 59 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 31101 | 7516 | 40 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 35 | 7516 | 40 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 403 | 7516 | 40 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| CHEMBL493 | 7516 | 40 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| DB01200 | 7516 | 40 | None | -7 | 35 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | None | |||
| 11978813 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 5014 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| 7672 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| CHEMBL2105760 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| DB09128 | 7508 | 79 | None | -10 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 433 | 7 | 1 | 5 | 4.7 | O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 10531 | 8202 | 21 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 121 | 8202 | 21 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 888 | 8202 | 21 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| CHEMBL1732 | 8202 | 21 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| DB00320 | 8202 | 21 | None | -28 | 24 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | None | |||
| 100 | 10577 | 58 | None | -1 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 2637 | 10577 | 58 | None | -1 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 5452 | 10577 | 58 | None | -1 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| CHEMBL479 | 10577 | 58 | None | -1 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| DB00679 | 10577 | 58 | None | -1 | 54 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | |||
| 4151 | 10379 | 89 | None | -33 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| 493 | 10379 | 89 | None | -33 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| 5312125 | 10379 | 89 | None | -33 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| CHEMBL24778 | 10379 | 89 | None | -33 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| DB06207 | 10379 | 89 | None | -33 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | None | |||
| 16040907 | 104659 | 0 | UNDEFINED | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| CHEMBL272340 | 104659 | 0 | UNDEFINED | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 466 | 7 | 2 | 5 | 4.7 | COc1ccccc1NC(=O)NC1CCC(N2CCN(c3ccccc3OC(C)C)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 2726 | 7706 | 68 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 621 | 7706 | 68 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 83 | 7706 | 68 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL71 | 7706 | 68 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB00477 | 7706 | 68 | None | 1 | 72 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 102 | 10899 | 48 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 10899 | 48 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 10899 | 48 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 10899 | 48 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 10899 | 48 | None | -363 | 49 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3157 | 8252 | 71 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 7170 | 8252 | 71 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 954 | 8252 | 71 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| DB00590 | 8252 | 71 | None | -1 | 12 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | None | |||
| 4418 | 40996 | 85 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | |||
| CHEMBL142635 | 40996 | 85 | None | 1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 392 | 7 | 1 | 5 | 3.4 | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | None | |||
| 2202 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 4850 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 49 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| CHEMBL1371770 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| DB12478 | 9906 | 96 | 3H-PRAZOSIN | -3 | 21 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 298 | 3 | 0 | 6 | 1.5 | c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 | None | |||
| 16041091 | 101996 | 0 | UNDEFINED | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| CHEMBL256041 | 101996 | 0 | UNDEFINED | -1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 468 | 7 | 2 | 4 | 4.5 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)NCc3cccc(F)c3)CC2)CC1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 484 | 9633 | 51 | 125I-BE2254 | -93 | 35 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 9633 | 51 | 125I-BE2254 | -93 | 35 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 9633 | 51 | 125I-BE2254 | -93 | 35 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 6761 | 74574 | 19 | None | -1 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| CHEMBL1909072 | 74574 | 19 | None | -1 | 18 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 401 | 5 | 1 | 4 | 4.5 | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| 2585 | 7590 | 103 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 522 | 7590 | 103 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 551 | 7590 | 103 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| CHEMBL723 | 7590 | 103 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| DB01136 | 7590 | 103 | None | -4 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 1238 | 209953 | 24 | None | -3 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| CHEMBL64249 | 209953 | 24 | None | -3 | 16 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 344 | 1 | 0 | 3 | 4.3 | CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 | None | |||
| 3168 | 16034 | 92 | None | -29 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| CHEMBL1108 | 16034 | 92 | None | -29 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 379 | 6 | 1 | 4 | 3.7 | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 | None | |||
| 107715 | 207724 | 22 | None | -13 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| CHEMBL1255837 | 207724 | 22 | None | -13 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| CHEMBL601773 | 207724 | 22 | None | -13 | 20 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| 2435 | 10362 | 83 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 60149 | 10362 | 83 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 98 | 10362 | 83 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| CHEMBL12713 | 10362 | 83 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| DB06144 | 10362 | 83 | None | -4 | 48 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| None | 223346 | 0 | UNDEFINED | 2 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 158 | 7 | 0 | 2 | 2.6 | CCCCN(CCCC)N=O | None | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4209 | 9937 | 75 | None | -2 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 4893 | 9937 | 75 | None | -2 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 503 | 9937 | 75 | None | -2 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 5385 | 9937 | 75 | None | -2 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| CHEMBL2 | 9937 | 75 | None | -2 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| DB00457 | 9937 | 75 | None | -2 | 33 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | None | |||
| 16041090 | 102168 | 0 | UNDEFINED | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| CHEMBL256853 | 102168 | 0 | UNDEFINED | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 496 | 8 | 2 | 6 | 4.7 | COc1ccc(NC(=O)NC2CCC(N3CCN(c4ccccc4OC(C)C)CC3)CC2)c(OC)c1 | None | |||
| 16041630 | 104323 | 0 | UNDEFINED | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| CHEMBL270589 | 104323 | 0 | UNDEFINED | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 472 | 6 | 2 | 4 | 5.0 | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 | None | |||
| 102 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 3659 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 8969 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| CHEMBL15245 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| DB01392 | 10899 | 48 | 125I-BE2254 | -363 | 49 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 354 | 1 | 2 | 4 | 2.6 | COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 | None | |||
| 13155 | 10195 | 0 | None | 16 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 24992070 | |||
| 90645598 | 10195 | 0 | None | 16 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 24992070 | |||
| CHEMBL3297829 | 10195 | 0 | None | 16 | 3 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 668 | 12 | 2 | 9 | 4.5 | CN(C(CCCC(=O)NC=1C=CC2=C(C1)C=3NC(N(C(C3S2)=O)CCN4CCN(CC4)C5=C(C=CC=C5)OC)=O)=O)CC6=CC=CC=C6 | 24992070 | |||
| 1753 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| 1753 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| 483 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| 483 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| 6082 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| 6082 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| CHEMBL524 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| CHEMBL524 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| DB00723 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 34355529 | |||
| DB00723 | 9282 | 28 | None | -39 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7651358 | |||
| 2146 | 9874 | 67 | None | -263 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| 485 | 9874 | 67 | None | -263 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| 6041 | 9874 | 67 | None | -263 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| CHEMBL1215 | 9874 | 67 | None | -263 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| DB00388 | 9874 | 67 | None | -263 | 9 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 34355529 | |||
| 2765 | 7730 | 19 | None | -91 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | |||
| 515 | 7730 | 19 | None | -91 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | |||
| CHEMBL13852 | 7730 | 19 | None | -91 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | |||
| DB09202 | 7730 | 19 | None | -91 | 9 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 34355529 | |||
| 2803 | 7742 | 58 | None | -12 | 19 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 34355529 | |||
| 516 | 7742 | 58 | None | -12 | 19 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 34355529 | |||
| 704 | 7742 | 58 | None | -12 | 19 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 34355529 | |||
| CHEMBL134 | 7742 | 58 | None | -12 | 19 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 34355529 | |||
| DB00575 | 7742 | 58 | None | -12 | 19 | Human | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 34355529 | |||
| 164739 | 7949 | 40 | None | -446 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | |||
| 4482 | 7949 | 40 | None | -446 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | |||
| 508 | 7949 | 40 | None | -446 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | |||
| CHEMBL677 | 7949 | 40 | None | -446 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | |||
| DB06707 | 7949 | 40 | None | -446 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | Guide to Pharmacology | 183 | 2 | 4 | 4 | 0.5 | C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N | 7969082 | |||
| 498 | 10403 | 0 | None | -2511 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| 5311437 | 10403 | 0 | None | -2511 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 608 | 10 | 2 | 7 | 5.6 | COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| 124 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| 124 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| 124 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| 2032 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| 2032 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| 2032 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| 4636 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| 4636 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| 4636 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| CHEMBL762 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| CHEMBL762 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| CHEMBL762 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| DB00935 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 34355529 | |||
| DB00935 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7651358 | |||
| DB00935 | 9755 | 47 | None | -524 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 8719417 | |||
| 2146 | 9874 | 67 | None | -5 | 9 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | |||
| 485 | 9874 | 67 | None | -5 | 9 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | |||
| 6041 | 9874 | 67 | None | -5 | 9 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | |||
| CHEMBL1215 | 9874 | 67 | None | -5 | 9 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | |||
| DB00388 | 9874 | 67 | None | -5 | 9 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 167 | 3 | 3 | 3 | 0.6 | CNC[C@@H](c1cccc(c1)O)O | 7969082 | |||
| 247704 | 7078 | 31 | None | 3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 4450 | 7078 | 31 | None | 3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| CHEMBL42280 | 7078 | 31 | None | 3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 3658 | 10879 | 53 | None | -389 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | |||
| 517 | 10879 | 53 | None | -389 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | |||
| 5709 | 10879 | 53 | None | -389 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | |||
| CHEMBL312448 | 10879 | 53 | None | -389 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | |||
| DB06694 | 10879 | 53 | None | -389 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | Guide to Pharmacology | 244 | 2 | 1 | 2 | 3.1 | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C | 7969082 | |||
| 1028 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 1028 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 1028 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| 139148732 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 139148732 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 139148732 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| 479 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 479 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 479 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| 5816 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 5816 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 5816 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| CHEMBL679 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| CHEMBL679 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| CHEMBL679 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| DB00668 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| DB00668 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| DB00668 | 7079 | 71 | None | -17 | 30 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| 1028 | 7079 | 71 | None | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| 139148732 | 7079 | 71 | None | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| 479 | 7079 | 71 | None | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| 5816 | 7079 | 71 | None | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| CHEMBL679 | 7079 | 71 | None | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| DB00668 | 7079 | 71 | None | -22 | 30 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| 1960 | 9632 | 67 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| 439260 | 9632 | 67 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| 505 | 9632 | 67 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| CHEMBL1437 | 9632 | 67 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| DB00368 | 9632 | 67 | None | -21 | 26 | Rat | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7969082 | |||
| 1531 | 9046 | 69 | None | -14 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | |||
| 3869 | 9046 | 69 | None | -14 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | |||
| 7207 | 9046 | 69 | None | -14 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | |||
| CHEMBL429 | 9046 | 69 | None | -14 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | |||
| DB00598 | 9046 | 69 | None | -14 | 16 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 328 | 8 | 5 | 4 | 2.9 | CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O | 32608144 | |||
| 1960 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 1960 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 1960 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| 439260 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 439260 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 439260 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| 505 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| 505 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| 505 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| CHEMBL1437 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| CHEMBL1437 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| CHEMBL1437 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| DB00368 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 34355529 | |||
| DB00368 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 7651358 | |||
| DB00368 | 9632 | 67 | None | -10 | 26 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 8564227 | |||
| 1443 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| 1443 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| 33625 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| 33625 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| 501 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| 501 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| CHEMBL279516 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| CHEMBL279516 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| DB08950 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 32608144 | |||
| DB08950 | 8809 | 34 | None | -16 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 347 | 5 | 2 | 2 | 3.6 | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 | 9249248 | |||
| 114697 | 10459 | 4 | None | -1 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 263 | 1 | 2 | 3 | 2.7 | Clc1ccc(cc1NC1=NCCN1)C(F)(F)F | 7969082 | |||
| 513 | 10459 | 4 | None | -1 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 263 | 1 | 2 | 3 | 2.7 | Clc1ccc(cc1NC1=NCCN1)C(F)(F)F | 7969082 | |||
| CHEMBL101340 | 10459 | 4 | None | -1 | 3 | Rat | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 263 | 1 | 2 | 3 | 2.7 | Clc1ccc(cc1NC1=NCCN1)C(F)(F)F | 7969082 | |||
| 487 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| 487 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | |||
| 487 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | |||
| 60602 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| 60602 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | |||
| 60602 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | |||
| CHEMBL405355 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| CHEMBL405355 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | |||
| CHEMBL405355 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | |||
| DB09239 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 32608144 | |||
| DB09239 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 7651358 | |||
| DB09239 | 10406 | 21 | None | -426 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 609 | 10 | 1 | 8 | 6.0 | COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C | 9249248 | |||
| 489 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | |||
| 489 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 32608144 | |||
| 489 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | |||
| 489 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | |||
| 5640 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | |||
| 5640 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 32608144 | |||
| 5640 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | |||
| 5640 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | |||
| CHEMBL420060 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 11459121 | |||
| CHEMBL420060 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 32608144 | |||
| CHEMBL420060 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 7651358 | |||
| CHEMBL420060 | 6933 | 28 | None | -34 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 401 | 7 | 1 | 8 | 1.0 | COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C | 9249248 | |||
| 3894573 | 10166 | 6 | None | -35 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 32608144 | |||
| 3894573 | 10166 | 6 | None | -35 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9249248 | |||
| 495 | 10166 | 6 | None | -35 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 32608144 | |||
| 495 | 10166 | 6 | None | -35 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9249248 | |||
| CHEMBL88272 | 10166 | 6 | None | -35 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 32608144 | |||
| CHEMBL88272 | 10166 | 6 | None | -35 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 412 | 10 | 2 | 3 | 5.6 | Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C | 9249248 | |||
| 13154 | 8195 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 259 | 6 | 0 | 1 | 3.9 | C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2 | 32608144 | |||
| 5820 | 8195 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 259 | 6 | 0 | 1 | 3.9 | C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2 | 32608144 | |||
| CHEMBL3305685 | 8195 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 259 | 6 | 0 | 1 | 3.9 | C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2 | 32608144 | |||
| 2142 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| 2142 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| 4920903 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| 4920903 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| 502 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| 502 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| 5775 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| 5775 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| CHEMBL597 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| CHEMBL597 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| DB00692 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 32608144 | |||
| DB00692 | 9870 | 58 | None | -5 | 37 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 281 | 4 | 2 | 4 | 2.8 | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 | 7651358 | |||
| 10453764 | 8979 | 0 | None | 1 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 402 | 4 | 0 | 8 | 0.9 | Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C | 17639498 | |||
| 8896 | 8979 | 0 | None | 1 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 402 | 4 | 0 | 8 | 0.9 | Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C | 17639498 | |||
| 3567002 | 10160 | 9 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10369480 | |||
| 3567002 | 10160 | 9 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 32608144 | |||
| 7381 | 10160 | 9 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10369480 | |||
| 7381 | 10160 | 9 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 32608144 | |||
| CHEMBL56331 | 10160 | 9 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 10369480 | |||
| CHEMBL56331 | 10160 | 9 | None | -58 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 6 | 2.0 | O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C | 32608144 | |||
| 4151 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| 4151 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| 493 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| 493 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| 5312125 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| 5312125 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| CHEMBL24778 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| CHEMBL24778 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| DB06207 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 32608144 | |||
| DB06207 | 10379 | 89 | None | -33 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 495 | 13 | 3 | 6 | 3.1 | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N | 7651358 | |||
| 5268 | 10428 | 40 | None | -39 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | |||
| 5268 | 10428 | 40 | None | -39 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 32608144 | |||
| 53 | 10428 | 40 | None | -39 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | |||
| 53 | 10428 | 40 | None | -39 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 32608144 | |||
| CHEMBL300555 | 10428 | 40 | None | -39 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 11459121 | |||
| CHEMBL300555 | 10428 | 40 | None | -39 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 32608144 | |||
| 115 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | |||
| 115 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| 2092 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | |||
| 2092 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| 7109 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | |||
| 7109 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| CHEMBL709 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | |||
| CHEMBL709 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| DB00346 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 10812954 | |||
| DB00346 | 7131 | 71 | None | -1 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 389 | 8 | 3 | 7 | 2.0 | COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C | 32608144 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| 3584 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| 5401 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| 7302 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| CHEMBL611 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 32608144 | |||
| DB01162 | 10549 | 64 | None | -1 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 387 | 4 | 2 | 7 | 0.9 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 | 9379432 | |||
| 3033538 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | |||
| 7155 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | |||
| 781 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | |||
| CHEMBL1201216 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | |||
| DB00298 | 8101 | 39 | None | 1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 325 | 4 | 0 | 5 | 2.3 | Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2 | 32608144 | |||
| 2136 | 9869 | 30 | None | 3 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 32608144 | |||
| 4768 | 9869 | 30 | None | 3 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 32608144 | |||
| 7268 | 9869 | 30 | None | 3 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 32608144 | |||
| CHEMBL753 | 9869 | 30 | None | 3 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 32608144 | |||
| DB00925 | 9869 | 30 | None | 3 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 303 | 8 | 0 | 2 | 4.2 | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 | 32608144 | |||
| 3157 | 8252 | 71 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| 7170 | 8252 | 71 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| 954 | 8252 | 71 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| CHEMBL707 | 8252 | 71 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| DB00590 | 8252 | 71 | None | -1 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 32608144 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | |||
| 2419 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | |||
| 9 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11459121 | |||
| CHEMBL13647 | 7482 | 28 | None | -1 | 11 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 32608144 | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 32608144 | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | |||
| 499 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 32608144 | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | |||
| 5685 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 32608144 | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 7651358 | |||
| CHEMBL25554 | 10849 | 18 | None | -1 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 345 | 8 | 1 | 6 | 2.5 | COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC | 9249248 | |||
| 132266 | 8061 | 12 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 32608144 | |||
| 132266 | 8061 | 12 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | |||
| 486 | 8061 | 12 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 32608144 | |||
| 486 | 8061 | 12 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | |||
| CHEMBL423294 | 8061 | 12 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 32608144 | |||
| CHEMBL423294 | 8061 | 12 | None | -5 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | |||
| 13156 | 10220 | 0 | None | 416 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 28800452 | |||
| 145946376 | 10220 | 0 | None | 416 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 28800452 | |||
| CHEMBL4299993 | 10220 | 0 | None | 416 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 382 | 6 | 2 | 5 | 2.9 | FC1=C(OCCN[C@H]2CCS(C3=CC=C(C=C23)NC)(=O)=O)C=C(C=C1)F | 28800452 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| 4209 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| 4893 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| 503 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| 5385 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| CHEMBL2 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10369480 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 32608144 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 7651358 | |||
| DB00457 | 9937 | 75 | None | 1 | 33 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 9249248 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| 129211 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| 2562 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| 488 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| CHEMBL836 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 10369480 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 32608144 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 7651358 | |||
| DB00706 | 10521 | 78 | None | -1 | 16 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | 408 | 11 | 2 | 6 | 2.3 | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C | 9249248 | |||
| 37 | 7565 | 60 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| 460 | 7565 | 60 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| 54746 | 7565 | 60 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| CHEMBL1201087 | 7565 | 60 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| DB00248 | 7565 | 60 | None | -2 | 17 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 451 | 8 | 2 | 4 | 3.2 | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C | None | |||
| 2601 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 443951 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 56 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| CHEMBL73151 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| DB13399 | 10552 | 33 | None | -5 | 21 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 340 | 3 | 2 | 2 | 2.9 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC | None | |||
| 15010 | 7185 | 0 | None | - | 1 | Rat | 4.2 | pKi | None | 4.2 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 4 | 0.3 | CNCC(c1cccc(c1)NS(=O)(=O)C)O | 7969082 | |||
| 155 | 7185 | 0 | None | - | 1 | Rat | 4.2 | pKi | None | 4.2 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 4 | 0.3 | CNCC(c1cccc(c1)NS(=O)(=O)C)O | 7969082 | |||
| 514 | 7185 | 0 | None | - | 1 | Rat | 4.2 | pKi | None | 4.2 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 4 | 0.3 | CNCC(c1cccc(c1)NS(=O)(=O)C)O | 7969082 | |||
| CHEMBL146408 | 7185 | 0 | None | - | 1 | Rat | 4.2 | pKi | None | 4.2 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 4 | 0.3 | CNCC(c1cccc(c1)NS(=O)(=O)C)O | 7969082 | |||
| 1753 | 9282 | 28 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | |||
| 483 | 9282 | 28 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | |||
| 6082 | 9282 | 28 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | |||
| CHEMBL524 | 9282 | 28 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | |||
| DB00723 | 9282 | 28 | None | 1 | 5 | Rat | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 211 | 4 | 2 | 4 | 1.1 | COc1ccc(c(c1)C(C(N)C)O)OC | 7969082 | |||
| 481 | 9667 | 7 | None | -4 | 3 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | |||
| 9838763 | 9667 | 7 | None | -4 | 3 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | |||
| CHEMBL72958 | 9667 | 7 | None | -4 | 3 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 248 | 4 | 3 | 4 | 0.2 | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O | 8719417 | |||
| 121925 | 8807 | 0 | None | - | 1 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 215 | 1 | 2 | 5 | 0.9 | Cn1nc2c(c1)c(ccc2)NC1=NCCN1 | 7969082 | |||
| 512 | 8807 | 0 | None | - | 1 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 215 | 1 | 2 | 5 | 0.9 | Cn1nc2c(c1)c(ccc2)NC1=NCCN1 | 7969082 | |||
| CHEMBL358373 | 8807 | 0 | None | - | 1 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 215 | 1 | 2 | 5 | 0.9 | Cn1nc2c(c1)c(ccc2)NC1=NCCN1 | 7969082 | |||
| 1862 | 6949 | 18 | None | 1 | 7 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 7969082 | |||
| 510 | 6949 | 18 | None | 1 | 7 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 7969082 | |||
| CHEMBL281232 | 6949 | 18 | None | 1 | 7 | Rat | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 187 | 2 | 4 | 4 | 0.2 | NCC(c1cc(O)c(cc1F)O)O | 7969082 | |||
| 128805 | 10392 | 0 | None | - | 1 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 223 | 2 | 1 | 3 | 2.2 | COc1ccc(c2c1CC(N)CC2)SC | 7969082 | |||
| 511 | 10392 | 0 | None | - | 1 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 223 | 2 | 1 | 3 | 2.2 | COc1ccc(c2c1CC(N)CC2)SC | 7969082 | |||
| CHEMBL280395 | 10392 | 0 | None | - | 1 | Rat | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | 223 | 2 | 1 | 3 | 2.2 | COc1ccc(c2c1CC(N)CC2)SC | 7969082 | |||
| 124 | 9755 | 47 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | |||
| 2032 | 9755 | 47 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | |||
| 4636 | 9755 | 47 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | |||
| CHEMBL762 | 9755 | 47 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | |||
| DB00935 | 9755 | 47 | None | -338 | 32 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 260 | 2 | 2 | 3 | 2.9 | Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C | 7969082 | |||
| 2765 | 7730 | 19 | None | -3 | 9 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 7969082 | |||
| 515 | 7730 | 19 | None | -3 | 9 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 7969082 | |||
| CHEMBL13852 | 7730 | 19 | None | -3 | 9 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 7969082 | |||
| DB09202 | 7730 | 19 | None | -3 | 9 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 216 | 4 | 1 | 3 | 1.9 | C1CN=C(N1)COc1ccccc1C1CC1 | 7969082 | |||
| 2803 | 7742 | 58 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | |||
| 516 | 7742 | 58 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | |||
| 704 | 7742 | 58 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | |||
| CHEMBL134 | 7742 | 58 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | |||
| DB00575 | 7742 | 58 | None | -2 | 19 | Rat | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 229 | 1 | 2 | 3 | 2.4 | Clc1cccc(c1NC1=NCCN1)Cl | 7969082 | |||
| 277 | 8083 | 62 | None | -42 | 50 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| 2913 | 8083 | 62 | None | -42 | 50 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| 765 | 8083 | 62 | None | -42 | 50 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| CHEMBL516 | 8083 | 62 | None | -42 | 50 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| DB00434 | 8083 | 62 | None | -42 | 50 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 11459121 | |||
| 518 | 10384 | 1 | None | -5 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 7568329 | |||
| 9839317 | 10384 | 1 | None | -5 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 7568329 | |||
| CHEMBL123138 | 10384 | 1 | None | -5 | 6 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 299 | 0 | 0 | 2 | 3.8 | CN1CCc2c3c(C1)c(Br)oc3ccc2Cl | 7568329 | |||
| 497 | 10138 | 8 | None | -61 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | |||
| 9872515 | 10138 | 8 | None | -61 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | |||
| CHEMBL24777 | 10138 | 8 | None | -61 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 444 | 7 | 1 | 6 | 2.1 | Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C | 10369480 | |||
| 2389 | 10104 | 118 | None | -24 | 66 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| 5073 | 10104 | 118 | None | -24 | 66 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| 96 | 10104 | 118 | None | -24 | 66 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| CHEMBL85 | 10104 | 118 | None | -24 | 66 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| DB00734 | 10104 | 118 | None | -24 | 66 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | 11459121 | |||
| 135 | 9310 | 43 | None | -10 | 56 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| 1796 | 9310 | 43 | None | -10 | 56 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| 4184 | 9310 | 43 | None | -10 | 56 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| CHEMBL6437 | 9310 | 43 | None | -10 | 56 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| DB06148 | 9310 | 43 | None | -10 | 56 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 11459121 | |||
| 132266 | 8061 | 12 | None | -20 | 9 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | |||
| 486 | 8061 | 12 | None | -20 | 9 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | |||
| CHEMBL423294 | 8061 | 12 | None | -20 | 9 | Rat | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 437 | 4 | 1 | 8 | 3.1 | COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1 | 8917649 | |||
| 135398737 | 7745 | 93 | None | -2 | 90 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| 38 | 7745 | 93 | None | -2 | 90 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| 722 | 7745 | 93 | None | -2 | 90 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| CHEMBL42 | 7745 | 93 | None | -2 | 90 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| DB00363 | 7745 | 93 | None | -2 | 90 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 11459121 | |||
| 1524 | 8962 | 96 | None | -8 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| 197 | 8962 | 96 | None | -8 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| 3822 | 8962 | 96 | None | -8 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| 88 | 8962 | 96 | None | -8 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| CHEMBL51 | 8962 | 96 | None | -8 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| DB12465 | 8962 | 96 | None | -8 | 51 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 395 | 5 | 1 | 5 | 2.4 | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 | 11459121 | |||
| 5074 | 10105 | 80 | None | -27 | 30 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | |||
| 97 | 10105 | 80 | None | -27 | 30 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | |||
| CHEMBL267777 | 10105 | 80 | None | -27 | 30 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | |||
| DB12693 | 10105 | 80 | None | -27 | 30 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 477 | 5 | 0 | 5 | 5.5 | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F | 11459121 | |||
| 148842 | 10718 | 27 | None | -8 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | |||
| 496 | 10718 | 27 | None | -8 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | |||
| CHEMBL278865 | 10718 | 27 | None | -8 | 5 | Human | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 511 | 8 | 1 | 6 | 4.7 | COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C | 9249248 | |||
| 2470 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||
| 3300 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||
| 5265 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||
| 99 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||
| CHEMBL267930 | 10425 | 50 | None | -309 | 58 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 395 | 6 | 1 | 4 | 3.2 | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 11459121 | |||
| 2419 | 7482 | 28 | None | -3 | 11 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | |||
| 9 | 7482 | 28 | None | -3 | 11 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | |||
| CHEMBL13647 | 7482 | 28 | None | -3 | 11 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 385 | 5 | 0 | 5 | 2.5 | COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2 | 11354357 | |||
| 4431 | 9506 | 25 | None | -1 | 12 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | |||
| 73 | 9506 | 25 | None | -1 | 12 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | |||
| CHEMBL8618 | 9506 | 25 | None | -1 | 12 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 393 | 7 | 0 | 5 | 2.9 | COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2 | 11459121 | |||
| 491 | 6980 | 9 | None | -3 | 12 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | |||
| 9891167 | 6980 | 9 | None | -3 | 12 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | |||
| CHEMBL13856 | 6980 | 9 | None | -3 | 12 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | |||
| 490 | 6979 | 8 | None | -2 | 12 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | |||
| 9890547 | 6979 | 8 | None | -2 | 12 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | |||
| CHEMBL268758 | 6979 | 8 | None | -2 | 12 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | |||
| 490 | 6979 | 8 | None | 2 | 12 | Rat | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | |||
| 9890547 | 6979 | 8 | None | 2 | 12 | Rat | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | |||
| CHEMBL268758 | 6979 | 8 | None | 2 | 12 | Rat | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | 462 | 6 | 1 | 7 | 3.2 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 | 11354357 | |||
| 491 | 6980 | 9 | None | 3 | 12 | Rat | 9.8 | pKi | None | 9.8 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | |||
| 9891167 | 6980 | 9 | None | 3 | 12 | Rat | 9.8 | pKi | None | 9.8 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | |||
| CHEMBL13856 | 6980 | 9 | None | 3 | 12 | Rat | 9.8 | pKi | None | 9.8 | Binding | Guide to Pharmacology | 476 | 6 | 1 | 7 | 3.6 | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C | 11354357 | |||