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 |
| 101635584 | 2596 | 31 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801332q | ||||
| 1458 | 2596 | 31 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801332q | ||||
| 16136567 | 2596 | 31 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801332q | ||||
| 3794 | 2596 | 31 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801332q | ||||
| 91898963 | 2596 | 31 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801332q | ||||
| CHEMBL525634 | 2596 | 31 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801332q | ||||
| 10010118 | 101435 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| CHEMBL297494 | 101435 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| CHEMBL2372767 | 210285 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O | 10.1021/jm0304865 | ||||
| 11181688 | 101335 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 721 | 13 | 4 | 11 | 1.5 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| CHEMBL296748 | 101335 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 721 | 13 | 4 | 11 | 1.5 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| 23728661 | 88830 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 432 | 5 | 1 | 4 | 4.3 | Cc1cc(N(C)C(=O)c2ccc(-c3cccc(F)c3)nc2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364292 | 88830 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 432 | 5 | 1 | 4 | 4.3 | Cc1cc(N(C)C(=O)c2ccc(-c3cccc(F)c3)nc2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| 23728772 | 88851 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 448 | 6 | 1 | 5 | 4.4 | Cc1cc(N(C)C(=O)c2ccc(Oc3ccc(F)cc3)nc2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364312 | 88851 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 448 | 6 | 1 | 5 | 4.4 | Cc1cc(N(C)C(=O)c2ccc(Oc3ccc(F)cc3)nc2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| 23728875 | 88856 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 468 | 6 | 1 | 5 | 4.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)cc2Cl)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364317 | 88856 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 468 | 6 | 1 | 5 | 4.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)cc2Cl)CCN1 | 10.6019/CHEMBL2364262 | ||
| 10010118 | 101435 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| CHEMBL297494 | 101435 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| 23728544 | 88823 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.7 | Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N(C)c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364285 | 88823 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.7 | Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N(C)c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 23728806 | 88857 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 448 | 7 | 1 | 5 | 4.5 | CCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364318 | 88857 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 448 | 7 | 1 | 5 | 4.5 | CCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 23729106 | 88820 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 432 | 5 | 1 | 4 | 4.3 | Cc1nc(-c2cccc(F)c2)ccc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364282 | 88820 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 432 | 5 | 1 | 4 | 4.3 | Cc1nc(-c2cccc(F)c2)ccc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 23728770 | 88840 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 4.3 | CCN(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364302 | 88840 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 432 | 6 | 1 | 4 | 4.3 | CCN(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 16749783 | 88869 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 450 | 6 | 1 | 7 | 3.2 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364330 | 88869 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 450 | 6 | 1 | 7 | 3.2 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 101635584 | 2596 | 31 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128554 | ||||
| 1458 | 2596 | 31 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128554 | ||||
| 16136567 | 2596 | 31 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128554 | ||||
| 3794 | 2596 | 31 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128554 | ||||
| 91898963 | 2596 | 31 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128554 | ||||
| CHEMBL525634 | 2596 | 31 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2022.128554 | ||||
| 23728693 | 88835 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 434 | 6 | 1 | 5 | 4.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364297 | 88835 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 434 | 6 | 1 | 5 | 4.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 16040758 | 88865 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 487 | 6 | 2 | 5 | 4.4 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364326 | 88865 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 487 | 6 | 2 | 5 | 4.4 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23729022 | 88819 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364281 | 88819 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728731 | 88839 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 436 | 5 | 1 | 4 | 4.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)cc2F)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364301 | 88839 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 436 | 5 | 1 | 4 | 4.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)cc2F)CCN1 | 10.6019/CHEMBL2364262 | ||
| 16749753 | 88868 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 464 | 6 | 1 | 7 | 3.6 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccc(F)cc4)CC3)n2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364329 | 88868 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 464 | 6 | 1 | 7 | 3.6 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccc(F)cc4)CC3)n2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 23729025 | 88815 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364277 | 88815 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728541 | 88822 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 439 | 5 | 1 | 5 | 4.0 | Cc1nc(-c2cccc(C#N)c2)ccc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364284 | 88822 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 439 | 5 | 1 | 5 | 4.0 | Cc1nc(-c2cccc(C#N)c2)ccc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 23728581 | 88826 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 433 | 5 | 1 | 5 | 3.7 | Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364288 | 88826 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 433 | 5 | 1 | 5 | 3.7 | Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 42623380 | 88854 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 3.8 | Cc1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)nc2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364315 | 88854 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 3.8 | Cc1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)nc2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| 42623463 | 88859 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 508 | 6 | 2 | 5 | 4.5 | C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2C(F)(F)F)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364320 | 88859 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 508 | 6 | 2 | 5 | 4.5 | C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2C(F)(F)F)CCN1 | 10.6019/CHEMBL2364262 | ||
| 56959013 | 191399 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 534 | 9 | 2 | 5 | 4.5 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CC(=O)NC(C)C)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5192530 | 191399 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 534 | 9 | 2 | 5 | 4.5 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CC(=O)NC(C)C)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| 89723534 | 190527 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 499 | 7 | 2 | 5 | 4.5 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(Cl)c(CO)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5179573 | 190527 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 499 | 7 | 2 | 5 | 4.5 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(Cl)c(CO)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| 16041119 | 178404 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 519 | 6 | 2 | 5 | 4.9 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)c(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465917 | 178404 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 519 | 6 | 2 | 5 | 4.9 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)c(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 23728546 | 88824 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 432 | 5 | 1 | 4 | 4.3 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364286 | 88824 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 432 | 5 | 1 | 4 | 4.3 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 59262141 | 88837 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 441 | 6 | 1 | 6 | 3.8 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(C#N)c4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364299 | 88837 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 441 | 6 | 1 | 6 | 3.8 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(C#N)c4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728915 | 88860 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 449 | 6 | 1 | 6 | 3.8 | Cc1cc(N(C)C(=O)c2ccc(Oc3ccc(F)cc3)nc2)ncc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364321 | 88860 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 449 | 6 | 1 | 6 | 3.8 | Cc1cc(N(C)C(=O)c2ccc(Oc3ccc(F)cc3)nc2)ncc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| 16122912 | 88862 | 1 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.7 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)n2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364323 | 88862 | 1 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 3.7 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)n2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 15984938 | 186787 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| CHEMBL489094 | 186787 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| 46882521 | 5711 | 0 | None | 158 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 458 | 6 | 2 | 4 | 4.5 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078207 | 5711 | 0 | None | 158 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 458 | 6 | 2 | 4 | 4.5 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 16752689 | 188368 | 0 | None | 5 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL501315 | 188368 | 0 | None | 5 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.072 | ||
| 16752689 | 188368 | 0 | None | 5 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL501315 | 188368 | 0 | None | 5 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 16040941 | 178288 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 519 | 6 | 2 | 5 | 4.9 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2F)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465094 | 178288 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 519 | 6 | 2 | 5 | 4.9 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2F)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 11993730 | 178407 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 500 | 6 | 1 | 4 | 5.2 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465925 | 178407 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 500 | 6 | 1 | 4 | 5.2 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570412 | 178421 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 505 | 8 | 1 | 5 | 4.0 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)CS(=O)(=O)c3ccccc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465948 | 178421 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 505 | 8 | 1 | 5 | 4.0 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)CS(=O)(=O)c3ccccc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570489 | 183059 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 499 | 6 | 1 | 3 | 5.8 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL479418 | 183059 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 499 | 6 | 1 | 3 | 5.8 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 15985000 | 88806 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(C(F)(F)F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364268 | 88806 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(C(F)(F)F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 44571939 | 180616 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 540 | 10 | 2 | 4 | 5.9 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL475467 | 180616 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 540 | 10 | 2 | 4 | 5.9 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 52946479 | 17231 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 794 | 9 | 7 | 15 | 1.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256547 | 17231 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 794 | 9 | 7 | 15 | 1.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 52946426 | 17239 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 778 | 9 | 6 | 14 | 2.6 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256558 | 17239 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 778 | 9 | 6 | 14 | 2.6 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| 54584627 | 62227 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 794 | 9 | 7 | 15 | 1.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778155 | 62227 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 794 | 9 | 7 | 15 | 1.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 42623375 | 88831 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 429 | 6 | 2 | 6 | 2.7 | C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCCCC4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364293 | 88831 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 429 | 6 | 2 | 6 | 2.7 | C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCCCC4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 44570112 | 177429 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 513 | 7 | 2 | 6 | 4.7 | COc1ccc(NC2CCN(C(=O)c3ncccc3-c3ccc(CN4C[C@H](C)N[C@H](C)C4)cc3)CC2)cc1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL463861 | 177429 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 513 | 7 | 2 | 6 | 4.7 | COc1ccc(NC2CCN(C(=O)c3ncccc3-c3ccc(CN4C[C@H](C)N[C@H](C)C4)cc3)CC2)cc1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570452 | 189832 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 446 | 7 | 1 | 5 | 4.0 | Cc1cc(CC(=O)N(C)Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)on1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL516551 | 189832 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 446 | 7 | 1 | 5 | 4.0 | Cc1cc(CC(=O)N(C)Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)on1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44571990 | 189696 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 533 | 11 | 1 | 4 | 5.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)Cc2ccccc2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL515434 | 189696 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 533 | 11 | 1 | 4 | 5.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)Cc2ccccc2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 1048 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmc.2010.08.035 | ||
| 1048 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 12560 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmc.2010.08.035 | ||
| 12560 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 1456 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmc.2010.08.035 | ||
| 1456 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL532 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmc.2010.08.035 | ||
| CHEMBL532 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| DB00199 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmc.2010.08.035 | ||
| DB00199 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 52944056 | 17235 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 748 | 8 | 5 | 13 | 3.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256554 | 17235 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 748 | 8 | 5 | 13 | 3.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| 168288449 | 191696 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 475 | 7 | 1 | 6 | 4.0 | CC[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccnc(C#N)c4)CC3)cc2C)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5196819 | 191696 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 475 | 7 | 1 | 6 | 4.0 | CC[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccnc(C#N)c4)CC3)cc2C)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| 15984937 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 10.1021/jm801332q | ||
| 4035 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 10.1021/jm801332q | ||
| CHEMBL489095 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 10.1021/jm801332q | ||
| DB12567 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 10.1021/jm801332q | ||
| 46882713 | 5731 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 4 | 1 | 3 | 4.2 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078345 | 5731 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 4 | 1 | 3 | 4.2 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 15984136 | 88801 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 6 | 1 | 4 | 3.2 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364263 | 88801 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 6 | 1 | 4 | 3.2 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 15984135 | 88809 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 442 | 6 | 2 | 4 | 3.4 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)c(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364271 | 88809 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 442 | 6 | 2 | 4 | 3.4 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)c(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 15984138 | 88811 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 432 | 6 | 1 | 5 | 3.0 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364273 | 88811 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 432 | 6 | 1 | 5 | 3.0 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728769 | 88846 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 4.7 | CC(C)N(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364308 | 88846 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 4.7 | CC(C)N(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 54583621 | 62211 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 760 | 8 | 5 | 13 | 3.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778046 | 62211 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 760 | 8 | 5 | 13 | 3.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 44542067 | 198733 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 865 | 13 | 7 | 16 | 1.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCCO)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL582871 | 198733 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 865 | 13 | 7 | 16 | 1.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCCO)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 44542068 | 198734 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 905 | 12 | 6 | 16 | 2.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CCOCC2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL582872 | 198734 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 905 | 12 | 6 | 16 | 2.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CCOCC2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 1048 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 12560 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 1456 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL532 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| DB00199 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 1048 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 1048 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm901107f | ||
| 12560 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 12560 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm901107f | ||
| 1456 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 1456 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm901107f | ||
| CHEMBL532 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL532 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm901107f | ||
| DB00199 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| DB00199 | 1585 | 76 | None | -2 | 4 | Rabbit | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm901107f | ||
| 46882672 | 5635 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 357 | 6 | 1 | 3 | 3.7 | CCCCc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1077736 | 5635 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 357 | 6 | 1 | 3 | 3.7 | CCCCc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882711 | 5729 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 3 | 1 | 3 | 3.5 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078343 | 5729 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 351 | 3 | 1 | 3 | 3.5 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2009.09.027 | ||
| 54583623 | 62213 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 764 | 9 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778049 | 62213 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 764 | 9 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 44542518 | 198162 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 863 | 12 | 6 | 15 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL574848 | 198162 | 0 | None | - | 1 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 863 | 12 | 6 | 15 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 16041292 | 183611 | 0 | None | 31 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 490 | 6 | 2 | 6 | 3.9 | C[C@H]1CN(Cc2ccc(-n3ccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL480219 | 183611 | 0 | None | 31 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 490 | 6 | 2 | 6 | 3.9 | C[C@H]1CN(Cc2ccc(-n3ccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 15984137 | 88810 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 6 | 1 | 4 | 3.2 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4cccc(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364272 | 88810 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 6 | 1 | 4 | 3.2 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4cccc(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 15984184 | 88812 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.0 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(C#N)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364274 | 88812 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.0 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(C#N)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728771 | 88852 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 462 | 8 | 1 | 5 | 4.0 | COCCN(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364313 | 88852 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 462 | 8 | 1 | 5 | 4.0 | COCCN(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 59262173 | 88855 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 478 | 9 | 1 | 6 | 4.1 | COCCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364316 | 88855 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 478 | 9 | 1 | 6 | 4.1 | COCCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 15984243 | 88871 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 452 | 6 | 2 | 4 | 4.2 | CC(C(=O)N1CCC(Nc2cccc(F)c2)CC1)c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364332 | 88871 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 452 | 6 | 2 | 4 | 4.2 | CC(C(=O)N1CCC(Nc2cccc(F)c2)CC1)c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.6019/CHEMBL2364262 | ||
| 44542965 | 198769 | 0 | None | - | 1 | Rabbit | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 891 | 15 | 6 | 15 | 3.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL583097 | 198769 | 0 | None | - | 1 | Rabbit | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 891 | 15 | 6 | 15 | 3.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 44542966 | 197920 | 0 | None | - | 1 | Rabbit | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 911 | 12 | 6 | 15 | 3.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2ccc(C(=O)NC)cc2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL572998 | 197920 | 0 | None | - | 1 | Rabbit | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 911 | 12 | 6 | 15 | 3.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2ccc(C(=O)NC)cc2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 46882754 | 5721 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 403 | 4 | 1 | 5 | 3.3 | N#Cc1ccc(-c2ccc(S(=O)(=O)Cc3ccc4c(c3)CCNCC4)cn2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078269 | 5721 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 403 | 4 | 1 | 5 | 3.3 | N#Cc1ccc(-c2ccc(S(=O)(=O)Cc3ccc4c(c3)CCNCC4)cn2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882794 | 5748 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 360 | 5 | 1 | 5 | 2.5 | CC(C)Oc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078461 | 5748 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 360 | 5 | 1 | 5 | 2.5 | CC(C)Oc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 | 10.1016/j.bmcl.2009.09.027 | ||
| 42623379 | 88853 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 3.9 | C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364314 | 88853 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 3.9 | C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 46882623 | 5851 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 2 | 6 | 1.4 | O=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(N2CCOCC2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079260 | 5851 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 388 | 4 | 2 | 6 | 1.4 | O=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(N2CCOCC2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 9863611 | 96930 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 6 | 2 | 3 | 3.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNCC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL266018 | 96930 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 358 | 6 | 2 | 3 | 3.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCNCC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44571376 | 184061 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 510 | 9 | 2 | 3 | 5.8 | O=C(NC1CCCCC1)N(CCc1ccccc1)Cc1ccccc1-c1cccc(CN2CCNCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL482307 | 184061 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 510 | 9 | 2 | 3 | 5.8 | O=C(NC1CCCCC1)N(CCc1ccccc1)Cc1ccccc1-c1cccc(CN2CCNCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 44542519 | 198924 | 0 | None | - | 1 | Rabbit | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 903 | 12 | 6 | 15 | 3.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCC(F)(F)F)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL584553 | 198924 | 0 | None | - | 1 | Rabbit | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 903 | 12 | 6 | 15 | 3.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCC(F)(F)F)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 54583624 | 62216 | 0 | None | - | 1 | Rabbit | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 819 | 11 | 5 | 14 | 3.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778052 | 62216 | 0 | None | - | 1 | Rabbit | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 819 | 11 | 5 | 14 | 3.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 168274082 | 190295 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 459 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5175905 | 190295 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 459 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| 52941569 | 17237 | 0 | None | - | 1 | Rabbit | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 764 | 9 | 6 | 14 | 2.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256556 | 17237 | 0 | None | - | 1 | Rabbit | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 764 | 9 | 6 | 14 | 2.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| 15984134 | 193271 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| CHEMBL523933 | 193271 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| 46882712 | 5730 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 4.7 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078344 | 5730 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 411 | 4 | 1 | 3 | 4.7 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882797 | 5751 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 411 | 5 | 2 | 5 | 3.6 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(Nc2ccc(F)cc2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078464 | 5751 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 411 | 5 | 2 | 5 | 3.6 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(Nc2ccc(F)cc2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44570450 | 177739 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 534 | 9 | 2 | 5 | 3.8 | Cc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)cc1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL464247 | 177739 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 534 | 9 | 2 | 5 | 3.8 | Cc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)cc1 | 10.1016/j.bmcl.2008.10.072 | ||
| 16041481 | 178805 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4cccc(C#N)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL469098 | 178805 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4cccc(C#N)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 16040587 | 179384 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL473921 | 179384 | 0 | None | 14 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 15984997 | 88804 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 425 | 6 | 1 | 4 | 3.2 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364266 | 88804 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 425 | 6 | 1 | 4 | 3.2 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 59262241 | 88849 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(C(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364310 | 88849 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(C(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 42623461 | 88861 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 3.8 | Cc1cc(NS(=O)(=O)c2cncc(-c3ccc(F)cc3)c2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364322 | 88861 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 454 | 6 | 2 | 5 | 3.8 | Cc1cc(NS(=O)(=O)c2cncc(-c3ccc(F)cc3)c2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| 16041291 | 88864 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 555 | 7 | 2 | 6 | 4.5 | C[C@H]1CN(Cc2ccc(-c3cccnc3S(=O)(=O)N3CCC(Nc4ccccc4F)CC3)cc2F)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364325 | 88864 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 555 | 7 | 2 | 6 | 4.5 | C[C@H]1CN(Cc2ccc(-c3cccnc3S(=O)(=O)N3CCC(Nc4ccccc4F)CC3)cc2F)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 54581677 | 62217 | 0 | None | - | 1 | Rabbit | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 833 | 11 | 4 | 14 | 3.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778053 | 62217 | 0 | None | - | 1 | Rabbit | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 833 | 11 | 4 | 14 | 3.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 46882302 | 5766 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 5.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C2CCCC2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078558 | 5766 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 5.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C2CCCC2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882755 | 5722 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 439 | 5 | 2 | 5 | 3.1 | O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078270 | 5722 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 439 | 5 | 2 | 5 | 3.1 | O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882303 | 5769 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 442 | 8 | 1 | 4 | 4.3 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(CC2CCOC2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078586 | 5769 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 442 | 8 | 1 | 4 | 4.3 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(CC2CCOC2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 89723541 | 190525 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 473 | 6 | 1 | 4 | 4.9 | C[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccc(F)cc4)CC3)cc2Cl)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5179543 | 190525 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 473 | 6 | 1 | 4 | 4.9 | C[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccc(F)cc4)CC3)cc2Cl)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| 56960874 | 191114 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 453 | 6 | 1 | 4 | 4.5 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)cc3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5187928 | 191114 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 453 | 6 | 1 | 4 | 4.5 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)cc3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| 46882458 | 5978 | 0 | None | 31 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1080046 | 5978 | 0 | None | 31 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44570527 | 190979 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 500 | 6 | 2 | 4 | 5.4 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL518618 | 190979 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 500 | 6 | 2 | 4 | 5.4 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 15984186 | 88814 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 4.1 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C(F)(F)F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364276 | 88814 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 4.1 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C(F)(F)F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23729107 | 88821 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 6 | 1 | 4 | 4.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364283 | 88821 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 6 | 1 | 4 | 4.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 16749782 | 88867 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 464 | 6 | 1 | 7 | 3.6 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364328 | 88867 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 464 | 6 | 1 | 7 | 3.6 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 89723498 | 191405 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 492 | 9 | 2 | 5 | 5.0 | CCOCc1cccc(N[C@H]2CC[C@H](C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)c(C)c3)CC2)c1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5192584 | 191405 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 492 | 9 | 2 | 5 | 5.0 | CCOCc1cccc(N[C@H]2CC[C@H](C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)c(C)c3)CC2)c1 | 10.1016/j.bmcl.2022.128554 | ||
| 52942786 | 17223 | 0 | None | - | 1 | Rabbit | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 790 | 9 | 6 | 14 | 2.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3(C)CC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256538 | 17223 | 0 | None | - | 1 | Rabbit | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 790 | 9 | 6 | 14 | 2.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3(C)CC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 52943975 | 17226 | 0 | None | - | 1 | Rabbit | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 765 | 9 | 7 | 15 | 0.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256542 | 17226 | 0 | None | - | 1 | Rabbit | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 765 | 9 | 7 | 15 | 0.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 54586525 | 62219 | 0 | None | - | 1 | Rabbit | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 765 | 9 | 7 | 15 | 0.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778055 | 62219 | 0 | None | - | 1 | Rabbit | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 765 | 9 | 7 | 15 | 0.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 44542215 | 197132 | 0 | None | - | 1 | Rabbit | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 911 | 12 | 6 | 15 | 3.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2cccc(C(=O)NC)c2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL567808 | 197132 | 0 | None | - | 1 | Rabbit | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 911 | 12 | 6 | 15 | 3.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2cccc(C(=O)NC)c2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 54582662 | 62214 | 0 | None | - | 1 | Rabbit | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 778 | 9 | 6 | 14 | 2.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778050 | 62214 | 0 | None | - | 1 | Rabbit | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 778 | 9 | 6 | 14 | 2.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 168278248 | 191102 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 6 | 1 | 4 | 4.5 | Cc1cc(CN2CCN[C@@H](C)C2)ccc1N(C)C(=O)[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5187776 | 191102 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 453 | 6 | 1 | 4 | 4.5 | Cc1cc(CN2CCN[C@@H](C)C2)ccc1N(C)C(=O)[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2022.128554 | ||
| 52942785 | 17221 | 0 | None | - | 1 | Rabbit | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 776 | 9 | 6 | 14 | 2.5 | C=C(C)CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@]2(C)O)[C@@H]1O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256536 | 17221 | 0 | None | - | 1 | Rabbit | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 776 | 9 | 6 | 14 | 2.5 | C=C(C)CN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@]2(C)O)[C@@H]1O | 10.1016/j.bmcl.2010.08.030 | ||
| 16088034 | 198766 | 0 | None | - | 1 | Rabbit | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 899 | 12 | 6 | 17 | 2.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)Nc2ccncn2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL583094 | 198766 | 0 | None | - | 1 | Rabbit | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 899 | 12 | 6 | 17 | 2.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)Nc2ccncn2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 15984241 | 179523 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 438 | 7 | 2 | 4 | 3.7 | C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| CHEMBL474130 | 179523 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 438 | 7 | 2 | 4 | 3.7 | C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| 46882714 | 5691 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 4.3 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1077991 | 5691 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 4.3 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(F)c(F)c2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 15984998 | 88805 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 425 | 6 | 1 | 4 | 3.2 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4cccc(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364267 | 88805 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 425 | 6 | 1 | 4 | 3.2 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4cccc(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 15984187 | 88808 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 454 | 7 | 2 | 5 | 3.3 | COc1cc(CC(=O)N2CCC(Nc3cccc(F)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364270 | 88808 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 454 | 7 | 2 | 5 | 3.3 | COc1cc(CC(=O)N2CCC(Nc3cccc(F)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.6019/CHEMBL2364262 | ||
| 16749728 | 88863 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 479 | 6 | 2 | 6 | 5.2 | C[C@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)s2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364324 | 88863 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 479 | 6 | 2 | 6 | 5.2 | C[C@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)s2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 15984319 | 88872 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 466 | 6 | 2 | 4 | 4.4 | C[C@H]1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364333 | 88872 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 466 | 6 | 2 | 4 | 4.4 | C[C@H]1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 52948855 | 17232 | 0 | None | - | 1 | Rabbit | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 795 | 10 | 8 | 16 | 0.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(O)CO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256548 | 17232 | 0 | None | - | 1 | Rabbit | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 795 | 10 | 8 | 16 | 0.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(O)CO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 44593551 | 37767 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 549 | 12 | 1 | 5 | 5.4 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)COc2ccccc2)c1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL14581 | 37767 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 549 | 12 | 1 | 5 | 5.4 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)COc2ccccc2)c1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570451 | 190504 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 8 | 1 | 3 | 4.9 | CC(C)CCC(=O)N(C)Cc1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL517934 | 190504 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 8 | 1 | 3 | 4.9 | CC(C)CCC(=O)N(C)Cc1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44593551 | 37767 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 549 | 12 | 1 | 5 | 5.4 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)COc2ccccc2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL14581 | 37767 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 549 | 12 | 1 | 5 | 5.4 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)COc2ccccc2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 46882350 | 5806 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 454 | 8 | 1 | 4 | 5.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cccs2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078882 | 5806 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 454 | 8 | 1 | 4 | 5.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cccs2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882624 | 5852 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 372 | 6 | 1 | 3 | 3.5 | CCCCc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)CCNCC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079261 | 5852 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 372 | 6 | 1 | 3 | 3.5 | CCCCc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)CCNCC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882625 | 5853 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 388 | 4 | 2 | 6 | 1.4 | O=S(=O)(Nc1ccc(N2CCOCC2)nc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079262 | 5853 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 388 | 4 | 2 | 6 | 1.4 | O=S(=O)(Nc1ccc(N2CCOCC2)nc1)c1ccc2c(c1)CCNCC2 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882460 | 6310 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 396 | 6 | 2 | 4 | 3.0 | O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1081859 | 6310 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 396 | 6 | 2 | 4 | 3.0 | O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2 | 10.1016/j.bmcl.2009.09.027 | ||
| 44570013 | 176867 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 526 | 7 | 3 | 6 | 3.7 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(C(N)=O)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL461446 | 176867 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 526 | 7 | 3 | 6 | 3.7 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(C(N)=O)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570608 | 190734 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 493 | 6 | 2 | 5 | 4.1 | C[C@H]1CN(Cc2ccc(N3CCCC3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL518261 | 190734 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 493 | 6 | 2 | 5 | 4.1 | C[C@H]1CN(Cc2ccc(N3CCCC3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 52947632 | 17219 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 764 | 8 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256534 | 17219 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 764 | 8 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 44542667 | 198920 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 764 | 8 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 44542667 | 198920 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 764 | 8 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL584549 | 198920 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 764 | 8 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL584549 | 198920 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 764 | 8 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 44542964 | 198768 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 877 | 14 | 6 | 15 | 3.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL583096 | 198768 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 877 | 14 | 6 | 15 | 3.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 44542520 | 198732 | 0 | None | - | 1 | Rabbit | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 875 | 12 | 6 | 15 | 3.0 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CCC2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL582870 | 198732 | 0 | None | - | 1 | Rabbit | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 875 | 12 | 6 | 15 | 3.0 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CCC2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 52942801 | 17238 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 764 | 9 | 6 | 14 | 2.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256557 | 17238 | 0 | None | - | 1 | Rabbit | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 764 | 9 | 6 | 14 | 2.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| 46882395 | 5843 | 0 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2[nH]cnc2C)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079186 | 5843 | 0 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2[nH]cnc2C)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44570411 | 178366 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 473 | 8 | 1 | 4 | 5.3 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)CSc3ccccc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465271 | 178366 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 473 | 8 | 1 | 4 | 5.3 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)CSc3ccccc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 15984185 | 88813 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.0 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C#N)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364275 | 88813 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.0 | C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C#N)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728695 | 88833 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 441 | 6 | 1 | 6 | 3.8 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(C#N)c4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364295 | 88833 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 441 | 6 | 1 | 6 | 3.8 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(C#N)c4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728694 | 88836 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 4.2 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)c(F)c2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364298 | 88836 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 4.2 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)c(F)c2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 16040587 | 179384 | 0 | None | 14 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| CHEMBL473921 | 179384 | 0 | None | 14 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| 15984939 | 186853 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.0 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C#N)c4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| CHEMBL489480 | 186853 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.0 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C#N)c4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| 46882522 | 5712 | 0 | None | 39 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 440 | 7 | 2 | 5 | 3.6 | CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078208 | 5712 | 0 | None | 39 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 440 | 7 | 2 | 5 | 3.6 | CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 16040939 | 190705 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 519 | 6 | 2 | 5 | 4.9 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2F)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL518229 | 190705 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 519 | 6 | 2 | 5 | 4.9 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2F)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 52946425 | 17236 | 0 | None | - | 1 | Rabbit | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 760 | 8 | 5 | 13 | 3.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256555 | 17236 | 0 | None | - | 1 | Rabbit | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 760 | 8 | 5 | 13 | 3.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| 44541929 | 198731 | 0 | None | - | 1 | Rabbit | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 861 | 12 | 6 | 15 | 2.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CC2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL582869 | 198731 | 0 | None | - | 1 | Rabbit | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 861 | 12 | 6 | 15 | 2.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC2CC2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 15984242 | 186813 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 452 | 6 | 2 | 4 | 4.2 | CC(C(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.1021/jm801332q | ||
| CHEMBL489297 | 186813 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 452 | 6 | 2 | 4 | 4.2 | CC(C(=O)N1CCC(Nc2ccc(F)cc2)CC1)c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.1021/jm801332q | ||
| 15984318 | 186852 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 466 | 6 | 2 | 4 | 4.4 | C[C@H]1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| CHEMBL489479 | 186852 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 466 | 6 | 2 | 4 | 4.4 | C[C@H]1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| 46882583 | 5756 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 453 | 5 | 2 | 6 | 2.6 | CN1CCOc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN(Cc3cc[nH]n3)CC4)ccc21 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078491 | 5756 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 453 | 5 | 2 | 6 | 2.6 | CN1CCOc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN(Cc3cc[nH]n3)CC4)ccc21 | 10.1016/j.bmcl.2009.09.027 | ||
| 44570365 | 178168 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 475 | 8 | 1 | 4 | 4.7 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)COc3ccc(F)cc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL464909 | 178168 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 475 | 8 | 1 | 4 | 4.7 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)COc3ccc(F)cc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 15984994 | 88802 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.0 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(C#N)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364264 | 88802 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 431 | 6 | 2 | 5 | 3.0 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(C#N)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728774 | 88841 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 435 | 6 | 1 | 6 | 3.5 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)nc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364303 | 88841 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 435 | 6 | 1 | 6 | 3.5 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)nc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 52950053 | 17222 | 0 | None | - | 1 | Rabbit | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 776 | 9 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256537 | 17222 | 0 | None | - | 1 | Rabbit | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 776 | 9 | 6 | 14 | 2.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 46882710 | 5728 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 357 | 3 | 1 | 3 | 3.6 | CC(C)(C)c1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078342 | 5728 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 357 | 3 | 1 | 3 | 3.6 | CC(C)(C)c1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882457 | 5951 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 452 | 8 | 1 | 5 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cncn2C)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079868 | 5951 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 452 | 8 | 1 | 5 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cncn2C)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44572092 | 180546 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 487 | 14 | 0 | 4 | 5.0 | COCCCN(Cc1ccccc1-c1ccc(CN(C)CCN(C)C)cc1)C(=O)Cc1ccccc1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL475380 | 180546 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 487 | 14 | 0 | 4 | 5.0 | COCCCN(Cc1ccccc1-c1ccc(CN(C)CCN(C)C)cc1)C(=O)Cc1ccccc1 | 10.1016/j.bmcl.2008.10.071 | ||
| 89872388 | 190487 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 467 | 7 | 1 | 4 | 4.9 | CC[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccc(F)cc4)CC3)cc2C)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5179060 | 190487 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 467 | 7 | 1 | 4 | 4.9 | CC[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccc(F)cc4)CC3)cc2C)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| 52941620 | 17224 | 0 | None | - | 1 | Rabbit | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 776 | 8 | 6 | 14 | 2.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256539 | 17224 | 0 | None | - | 1 | Rabbit | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 776 | 8 | 6 | 14 | 2.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 54587558 | 62218 | 0 | None | - | 1 | Rabbit | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 776 | 8 | 6 | 14 | 2.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778054 | 62218 | 0 | None | - | 1 | Rabbit | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 776 | 8 | 6 | 14 | 2.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 54580662 | 62215 | 0 | None | - | 1 | Rabbit | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 805 | 11 | 5 | 14 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778051 | 62215 | 0 | None | - | 1 | Rabbit | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 805 | 11 | 5 | 14 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 52942788 | 17229 | 0 | None | - | 1 | Rabbit | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 780 | 9 | 7 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256545 | 17229 | 0 | None | - | 1 | Rabbit | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 780 | 9 | 7 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 54584626 | 62226 | 0 | None | - | 1 | Rabbit | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 780 | 9 | 7 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778154 | 62226 | 0 | None | - | 1 | Rabbit | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 780 | 9 | 7 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 52946408 | 17220 | 0 | None | - | 1 | Rabbit | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 778 | 9 | 6 | 14 | 2.6 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256535 | 17220 | 0 | None | - | 1 | Rabbit | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 778 | 9 | 6 | 14 | 2.6 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 52942789 | 17233 | 0 | None | - | 1 | Rabbit | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 767 | 9 | 6 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCF)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256549 | 17233 | 0 | None | - | 1 | Rabbit | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 767 | 9 | 6 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCF)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 15604512 | 180186 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 438 | 6 | 2 | 4 | 3.7 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| CHEMBL474934 | 180186 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 438 | 6 | 2 | 4 | 3.7 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| 46882795 | 5749 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 6 | 1 | 5 | 2.8 | CC(C)COc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078462 | 5749 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 6 | 1 | 5 | 2.8 | CC(C)COc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882520 | 5856 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 4 | 3.8 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1Cl | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079311 | 5856 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 4 | 3.8 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1Cl | 10.1016/j.bmcl.2009.09.027 | ||
| 23729060 | 88816 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 417 | 5 | 1 | 3 | 4.6 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364278 | 88816 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 417 | 5 | 1 | 3 | 4.6 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728733 | 88842 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 445 | 6 | 1 | 5 | 3.2 | C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4cccc(C#N)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364304 | 88842 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 445 | 6 | 1 | 5 | 3.2 | C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4cccc(C#N)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728840 | 88847 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 3.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(C#N)c4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364309 | 88847 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 3.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(C#N)c4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 15984239 | 88870 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 452 | 7 | 2 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364331 | 88870 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 452 | 7 | 2 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 44571375 | 189675 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 539 | 10 | 2 | 3 | 7.0 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CC3CCNCC3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL515275 | 189675 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 539 | 10 | 2 | 3 | 7.0 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CC3CCNCC3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 44593552 | 178308 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 12 | 1 | 5 | 4.2 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)COc1ccccc1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465104 | 178308 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 12 | 1 | 5 | 4.2 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)COc1ccccc1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570568 | 183902 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 507 | 6 | 2 | 6 | 4.8 | C[C@H]1CN(Cc2cnc(-c3ccccc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)s2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL481192 | 183902 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 507 | 6 | 2 | 6 | 4.8 | C[C@H]1CN(Cc2cnc(-c3ccccc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)s2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44593552 | 178308 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 12 | 1 | 5 | 4.2 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)COc1ccccc1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL465104 | 178308 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 12 | 1 | 5 | 4.2 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)COc1ccccc1 | 10.1016/j.bmcl.2008.10.071 | ||
| 53322109 | 56269 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1021/jm0304865 | ||
| CHEMBL1628277 | 56269 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1021/jm0304865 | ||
| 89723511 | 190044 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 507 | 8 | 2 | 5 | 4.7 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CC(C)(C)O)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5171964 | 190044 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 507 | 8 | 2 | 5 | 4.7 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CC(C)(C)O)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| 56960875 | 190871 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 454 | 6 | 1 | 5 | 3.9 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)cn3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5184722 | 190871 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 454 | 6 | 1 | 5 | 3.9 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)cn3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| 56961016 | 191709 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 479 | 8 | 2 | 5 | 3.9 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CCO)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5196982 | 191709 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 479 | 8 | 2 | 5 | 3.9 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CCO)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| 1048 | 1585 | 76 | None | 2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | ||
| 12560 | 1585 | 76 | None | 2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | ||
| 1456 | 1585 | 76 | None | 2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | ||
| CHEMBL532 | 1585 | 76 | None | 2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | ||
| DB00199 | 1585 | 76 | None | 2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | ||
| 44292287 | 187580 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 546 | 7 | 3 | 10 | -0.0 | NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| CHEMBL49464 | 187580 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 546 | 7 | 3 | 10 | -0.0 | NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| 89723443 | 190517 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 1 | 4 | 4.1 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)cc3)CC2)ccc1CN1CCNCC1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5179463 | 190517 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 1 | 4 | 4.1 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)cc3)CC2)ccc1CN1CCNCC1 | 10.1016/j.bmcl.2022.128554 | ||
| 52950055 | 17230 | 0 | None | - | 1 | Rabbit | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 780 | 9 | 7 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256546 | 17230 | 0 | None | - | 1 | Rabbit | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 780 | 9 | 7 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 46882753 | 5720 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 396 | 4 | 1 | 4 | 3.6 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(F)cc2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078268 | 5720 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 396 | 4 | 1 | 4 | 3.6 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(F)cc2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882582 | 5755 | 0 | None | 125 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 466 | 5 | 2 | 5 | 3.9 | CC1(C)CCc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN(Cc3cc[nH]n3)CC4)ccc2O1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078490 | 5755 | 0 | None | 125 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 466 | 5 | 2 | 5 | 3.9 | CC1(C)CCc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN(Cc3cc[nH]n3)CC4)ccc2O1 | 10.1016/j.bmcl.2009.09.027 | ||
| 16041121 | 178289 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 531 | 7 | 2 | 6 | 4.8 | COc1cc(-c2cccnc2C(=O)N2CCC(Nc3ccc(F)cc3)CC2)ccc1CN1C[C@H](C)N[C@H](C)C1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465095 | 178289 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 531 | 7 | 2 | 6 | 4.8 | COc1cc(-c2cccnc2C(=O)N2CCC(Nc3ccc(F)cc3)CC2)ccc1CN1C[C@H](C)N[C@H](C)C1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570491 | 183060 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 482 | 6 | 2 | 4 | 5.3 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccccc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL479419 | 183060 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 482 | 6 | 2 | 4 | 5.3 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccccc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 23729063 | 88817 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 438 | 6 | 1 | 4 | 3.5 | C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4cccc(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364279 | 88817 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 438 | 6 | 1 | 4 | 3.5 | C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4cccc(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23729103 | 88818 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccccc4F)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364280 | 88818 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccccc4F)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728578 | 88825 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 433 | 6 | 1 | 4 | 4.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccccc4F)cc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364287 | 88825 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 433 | 6 | 1 | 4 | 4.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccccc4F)cc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728582 | 88827 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 3.4 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3cnc(-c4ccc(F)cc4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364289 | 88827 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 419 | 5 | 1 | 5 | 3.4 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3cnc(-c4ccc(F)cc4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 57586303 | 88828 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 458 | 6 | 2 | 4 | 3.9 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2Cl)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364290 | 88828 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 458 | 6 | 2 | 4 | 3.9 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2Cl)CCN1 | 10.6019/CHEMBL2364262 | ||
| 11902 | 1487 | 8 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 465 | 7 | 2 | 5 | 3.9 | C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| 56960876 | 1487 | 8 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 465 | 7 | 2 | 5 | 3.9 | C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5201797 | 1487 | 8 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 465 | 7 | 2 | 5 | 3.9 | C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| 89723482 | 192103 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 479 | 7 | 2 | 5 | 4.2 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cc(CO)ccc3C)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5203126 | 192103 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 479 | 7 | 2 | 5 | 4.2 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cc(CO)ccc3C)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| 44542816 | 198069 | 0 | None | - | 1 | Rabbit | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 879 | 14 | 6 | 16 | 2.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL574205 | 198069 | 0 | None | - | 1 | Rabbit | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 879 | 14 | 6 | 16 | 2.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCCOC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 1048 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm801332q | ||
| 12560 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm801332q | ||
| 1456 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm801332q | ||
| CHEMBL532 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm801332q | ||
| DB00199 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm801332q | ||
| 15984238 | 189569 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 452 | 7 | 2 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| CHEMBL514475 | 189569 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 452 | 7 | 2 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| 1048 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| 12560 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| 1456 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL532 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| DB00199 | 1585 | 76 | None | 2 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| 46882393 | 5840 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 511 | 9 | 2 | 5 | 5.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccc(NC(C)=O)s2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079170 | 5840 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 511 | 9 | 2 | 5 | 5.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2ccc(NC(C)=O)s2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44571939 | 180616 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 540 | 10 | 2 | 4 | 5.9 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL475467 | 180616 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 540 | 10 | 2 | 4 | 5.9 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 44570409 | 178414 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 459 | 7 | 1 | 3 | 4.9 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)Cc3ccc(F)cc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465940 | 178414 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 459 | 7 | 1 | 3 | 4.9 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)Cc3ccc(F)cc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570492 | 183949 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 516 | 6 | 2 | 4 | 5.9 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(Cl)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL481575 | 183949 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 516 | 6 | 2 | 4 | 5.9 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(Cl)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 16752689 | 188368 | 0 | None | 5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL501315 | 188368 | 0 | None | 5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.072 | ||
| 16041483 | 190921 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccccc4F)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL518540 | 190921 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccccc4F)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 46882671 | 5634 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 1 | 6 | 1.6 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(N2CCOCC2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1077735 | 5634 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 1 | 6 | 1.6 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(N2CCOCC2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882756 | 5765 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.7 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(Oc2ccc(F)cc2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078555 | 5765 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.7 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(Oc2ccc(F)cc2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882349 | 5805 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 505 | 9 | 2 | 4 | 5.4 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cccc(NC(C)=O)c2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078881 | 5805 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 505 | 9 | 2 | 4 | 5.4 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cccc(NC(C)=O)c2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44571989 | 180217 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 478 | 10 | 2 | 4 | 4.6 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)NC1CCCCC1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL474978 | 180217 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 478 | 10 | 2 | 4 | 4.6 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)NC1CCCCC1 | 10.1016/j.bmcl.2008.10.071 | ||
| 44571373 | 179913 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 526 | 9 | 2 | 4 | 5.9 | COc1cccc(CCN(Cc2ccccc2-c2ccc(N3CCNCC3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL474606 | 179913 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 526 | 9 | 2 | 4 | 5.9 | COc1cccc(CCN(Cc2ccccc2-c2ccc(N3CCNCC3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 44571940 | 180931 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 415 | 9 | 2 | 4 | 4.1 | COc1cccc(CCNCc2ccccc2-c2ccc(CN3CCNCC3)cc2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL475808 | 180931 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 415 | 9 | 2 | 4 | 4.1 | COc1cccc(CCNCc2ccccc2-c2ccc(CN3CCNCC3)cc2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 11993730 | 178407 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 500 | 6 | 1 | 4 | 5.2 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL465925 | 178407 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 500 | 6 | 1 | 4 | 5.2 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2022.128554 | ||
| 44542367 | 198096 | 0 | None | - | 1 | Rabbit | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 847 | 11 | 6 | 15 | 2.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL574429 | 198096 | 0 | None | - | 1 | Rabbit | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 847 | 11 | 6 | 15 | 2.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 44542368 | 198921 | 0 | None | - | 1 | Rabbit | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 821 | 11 | 6 | 15 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 44542368 | 198921 | 0 | None | - | 1 | Rabbit | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 821 | 11 | 6 | 15 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL584550 | 198921 | 0 | None | - | 1 | Rabbit | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 821 | 11 | 6 | 15 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL584550 | 198921 | 0 | None | - | 1 | Rabbit | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 821 | 11 | 6 | 15 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(N)=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 56960873 | 191716 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 1 | 4 | 4.2 | C[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccc(F)cc4)CC3)cc2)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5197045 | 191716 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 1 | 4 | 4.2 | C[C@H]1CN(Cc2ccc(N(C)C(=O)[C@H]3CC[C@H](Oc4ccc(F)cc4)CC3)cc2)CCN1 | 10.1016/j.bmcl.2022.128554 | ||
| 11398860 | 176045 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 560 | 8 | 3 | 10 | 0.4 | NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| CHEMBL45905 | 176045 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 560 | 8 | 3 | 10 | 0.4 | NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| 52947633 | 17225 | 0 | None | - | 1 | Rabbit | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 777 | 8 | 6 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3COC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256540 | 17225 | 0 | None | - | 1 | Rabbit | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 777 | 8 | 6 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3COC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 45483679 | 197918 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 835 | 11 | 6 | 15 | 2.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 45483679 | 197918 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 835 | 11 | 6 | 15 | 2.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL572996 | 197918 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 835 | 11 | 6 | 15 | 2.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL572996 | 197918 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 835 | 11 | 6 | 15 | 2.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 54584601 | 62210 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 748 | 8 | 5 | 13 | 3.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778045 | 62210 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 748 | 8 | 5 | 13 | 3.4 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 45102708 | 5770 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 468 | 6 | 2 | 7 | 2.0 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(N2CCOCC2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078595 | 5770 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 468 | 6 | 2 | 7 | 2.0 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(N2CCOCC2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 16040940 | 177450 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL463881 | 177450 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 15984999 | 88807 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C(F)(F)F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364269 | 88807 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 474 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(C(F)(F)F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728692 | 88834 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 436 | 5 | 1 | 4 | 4.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)c(F)c2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364296 | 88834 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 436 | 5 | 1 | 4 | 4.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)c(F)c2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 16749781 | 88866 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 464 | 6 | 1 | 7 | 3.6 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccccc4F)CC3)n2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364327 | 88866 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 464 | 6 | 1 | 7 | 3.6 | C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccccc4F)CC3)n2)C[C@@H](C)N1 | 10.6019/CHEMBL2364262 | ||
| 54582661 | 62212 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 749 | 9 | 6 | 14 | 2.0 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1778047 | 62212 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 749 | 9 | 6 | 14 | 2.0 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 15984240 | 179522 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 2 | 4 | 3.7 | C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| CHEMBL474129 | 179522 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 2 | 4 | 3.7 | C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CCN1 | 10.1021/jm801332q | ||
| 46882796 | 5750 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 1 | 5 | 2.7 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(N2CCCCC2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078463 | 5750 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 1 | 5 | 2.7 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(N2CCCCC2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882396 | 5844 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cnc(C)[nH]2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079187 | 5844 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cnc(C)[nH]2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44570528 | 183606 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 513 | 6 | 1 | 4 | 5.4 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL480210 | 183606 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 513 | 6 | 1 | 4 | 5.4 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570490 | 190647 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 501 | 6 | 1 | 4 | 5.4 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL518142 | 190647 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 501 | 6 | 1 | 4 | 5.4 | C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 23728734 | 88843 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 6 | 1 | 5 | 3.2 | C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4ccc(C#N)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364305 | 88843 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 6 | 1 | 5 | 3.2 | C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4ccc(C#N)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 1048 | 1585 | 76 | None | 2 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| 12560 | 1585 | 76 | None | 2 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| 1456 | 1585 | 76 | None | 2 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL532 | 1585 | 76 | None | 2 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| DB00199 | 1585 | 76 | None | 2 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/j.bmcl.2008.10.072 | ||
| 44569919 | 178804 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(C#N)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL469097 | 178804 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(C#N)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44572029 | 179406 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 511 | 11 | 1 | 5 | 4.1 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL474008 | 179406 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 511 | 11 | 1 | 5 | 4.1 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.10.071 | ||
| 44571991 | 180945 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 395 | 9 | 1 | 4 | 3.1 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(C)=O | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL475823 | 180945 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 395 | 9 | 1 | 4 | 3.1 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(C)=O | 10.1016/j.bmcl.2008.10.071 | ||
| 44542369 | 198922 | 0 | None | - | 1 | Rabbit | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 849 | 11 | 5 | 15 | 2.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| 44542369 | 198922 | 0 | None | - | 1 | Rabbit | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 849 | 11 | 5 | 15 | 2.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL584551 | 198922 | 0 | None | - | 1 | Rabbit | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 849 | 11 | 5 | 15 | 2.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL584551 | 198922 | 0 | None | - | 1 | Rabbit | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 849 | 11 | 5 | 15 | 2.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)N(C)C)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 44541928 | 198923 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 849 | 12 | 6 | 15 | 2.5 | CCNC(=O)CO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C | 10.1021/jm901107f | ||
| CHEMBL584552 | 198923 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 849 | 12 | 6 | 15 | 2.5 | CCNC(=O)CO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C | 10.1021/jm901107f | ||
| 44542069 | 197919 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 899 | 12 | 6 | 17 | 2.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)Nc2cnccn2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL572997 | 197919 | 0 | None | - | 1 | Rabbit | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 899 | 12 | 6 | 17 | 2.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)Nc2cnccn2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 53322109 | 56269 | 0 | None | -1 | 2 | Rabbit | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1628277 | 56269 | 0 | None | -1 | 2 | Rabbit | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2010.08.030 | ||
| 53322109 | 56269 | 0 | None | -1 | 2 | Rabbit | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2011.04.078 | ||
| 53322109 | 56269 | 0 | None | -1 | 2 | Rabbit | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1021/jm901107f | ||
| CHEMBL1628277 | 56269 | 0 | None | -1 | 2 | Rabbit | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1016/j.bmcl.2011.04.078 | ||
| CHEMBL1628277 | 56269 | 0 | None | -1 | 2 | Rabbit | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1021/jm901107f | ||
| 44292517 | 101531 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| CHEMBL298224 | 101531 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | ||
| 89723612 | 191288 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 4.0 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)c(CO)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL5190786 | 191288 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 4.0 | Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3ccc(F)c(CO)c3)CC2)ccc1CN1CCN[C@@H](C)C1 | 10.1016/j.bmcl.2022.128554 | ||
| 46882752 | 5719 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 4.1 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(Cl)cc2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078267 | 5719 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 4.1 | O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(Cl)cc2)nc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 45102707 | 5757 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 465 | 6 | 2 | 6 | 3.9 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078492 | 5757 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 465 | 6 | 2 | 6 | 3.9 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882394 | 5842 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cnc[nH]2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079185 | 5842 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cnc[nH]2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44570453 | 178374 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 455 | 8 | 1 | 3 | 5.2 | CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465289 | 178374 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 455 | 8 | 1 | 3 | 5.2 | CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 | 10.1016/j.bmcl.2008.10.072 | ||
| 15984995 | 88803 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 442 | 6 | 2 | 4 | 3.4 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)c(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364265 | 88803 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 442 | 6 | 2 | 4 | 3.4 | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)c(F)c4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728626 | 88829 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 434 | 6 | 1 | 5 | 4.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccccc4F)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364291 | 88829 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 434 | 6 | 1 | 5 | 4.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccccc4F)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728691 | 88832 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 3.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(C#N)c4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364294 | 88832 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 3.7 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(C#N)c4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728730 | 88838 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 438 | 6 | 1 | 4 | 3.5 | C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364300 | 88838 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 438 | 6 | 1 | 4 | 3.5 | C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728871 | 88844 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364306 | 88844 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728838 | 88845 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364307 | 88845 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 418 | 5 | 1 | 4 | 4.0 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cn3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 23728841 | 88850 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 430 | 6 | 1 | 5 | 3.8 | COc1cccc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)cc3)nc2)c1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364311 | 88850 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 430 | 6 | 1 | 5 | 3.8 | COc1cccc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)cc3)nc2)c1 | 10.6019/CHEMBL2364262 | ||
| 52946409 | 17228 | 0 | None | - | 1 | Rabbit | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 780 | 10 | 7 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256544 | 17228 | 0 | None | - | 1 | Rabbit | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 780 | 10 | 7 | 15 | 1.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCO)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 52945184 | 17234 | 0 | None | - | 1 | Rabbit | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 765 | 9 | 7 | 15 | 0.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256550 | 17234 | 0 | None | - | 1 | Rabbit | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 765 | 9 | 7 | 15 | 0.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 52950054 | 17227 | 0 | None | - | 1 | Rabbit | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 780 | 10 | 6 | 15 | 1.6 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCOC)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| CHEMBL1256543 | 17227 | 0 | None | - | 1 | Rabbit | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 780 | 10 | 6 | 15 | 1.6 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCOC)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/j.bmcl.2010.08.030 | ||
| 44542817 | 198735 | 0 | None | - | 1 | Rabbit | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 911 | 13 | 6 | 15 | 3.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL582873 | 198735 | 0 | None | - | 1 | Rabbit | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 911 | 13 | 6 | 15 | 3.7 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 44570364 | 178360 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 457 | 8 | 1 | 4 | 4.6 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)COc3ccccc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465244 | 178360 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 457 | 8 | 1 | 4 | 4.6 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)COc3ccccc3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44570410 | 178415 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.4 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)Cc3cccc(Cl)c3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL465941 | 178415 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 475 | 7 | 1 | 3 | 5.4 | C[C@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)Cc3cccc(Cl)c3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 23728916 | 88858 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 3.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(N4CCC(F)CC4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| CHEMBL2364319 | 88858 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 3.1 | C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(N4CCC(F)CC4)nc3)cc2)CCN1 | 10.6019/CHEMBL2364262 | ||
| 46882519 | 5707 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 416 | 5 | 2 | 4 | 3.5 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078104 | 5707 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 416 | 5 | 2 | 4 | 3.5 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44572030 | 179416 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 471 | 11 | 1 | 4 | 4.4 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)Cc1ccccc1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL474018 | 179416 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 471 | 11 | 1 | 4 | 4.4 | COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(=O)Cc1ccccc1 | 10.1016/j.bmcl.2008.10.071 | ||
| 44569920 | 189413 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccccc4C#N)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL513183 | 189413 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccccc4C#N)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 46882461 | 6312 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 2 | 5 | 2.7 | N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1081860 | 6312 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 2 | 5 | 2.7 | N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44542214 | 198767 | 0 | None | - | 1 | Rabbit | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 863 | 13 | 6 | 15 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL583095 | 198767 | 0 | None | - | 1 | Rabbit | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 863 | 13 | 6 | 15 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCCCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 44542666 | 198770 | 0 | None | - | 1 | Rabbit | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 819 | 11 | 5 | 14 | 3.0 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@H]1C | 10.1021/jm901107f | ||
| CHEMBL583098 | 198770 | 0 | None | - | 1 | Rabbit | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 819 | 11 | 5 | 14 | 3.0 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@H]1C | 10.1021/jm901107f | ||
| 44542815 | 198244 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 851 | 12 | 6 | 16 | 2.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NOC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| CHEMBL575518 | 198244 | 0 | None | - | 1 | Rabbit | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 851 | 12 | 6 | 16 | 2.1 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NOC)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1021/jm901107f | ||
| 15984937 | 785 | 31 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 10.1016/j.bmcl.2022.128554 | ||
| 4035 | 785 | 31 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 10.1016/j.bmcl.2022.128554 | ||
| CHEMBL489095 | 785 | 31 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 10.1016/j.bmcl.2022.128554 | ||
| DB12567 | 785 | 31 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 10.1016/j.bmcl.2022.128554 | ||
| 23656869 | 147856 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 631 | 5 | 4 | 6 | 3.1 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN2CCCC2)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| CHEMBL393315 | 147856 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 631 | 5 | 4 | 6 | 3.1 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN2CCCC2)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| 23557214 | 141083 | 0 | None | 6 | 2 | Rabbit | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 721 | 11 | 0 | 4 | 8.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL382613 | 141083 | 0 | None | 6 | 2 | Rabbit | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 721 | 11 | 0 | 4 | 8.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| 23557214 | 141083 | 0 | None | -6 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 721 | 11 | 0 | 4 | 8.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL382613 | 141083 | 0 | None | -6 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 721 | 11 | 0 | 4 | 8.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| 11341873 | 141504 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 552 | 6 | 4 | 6 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | ||
| CHEMBL384501 | 141504 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 552 | 6 | 4 | 6 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | ||
| 23557218 | 139556 | 0 | None | 38 | 2 | Rabbit | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL379665 | 139556 | 0 | None | 38 | 2 | Rabbit | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| 12016400 | 168960 | 0 | None | -11 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL438962 | 168960 | 0 | None | -11 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| 44412878 | 141082 | 0 | None | -5 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 707 | 11 | 0 | 4 | 8.6 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL382612 | 141082 | 0 | None | -5 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 707 | 11 | 0 | 4 | 8.6 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| 44412861 | 77874 | 0 | None | - | 1 | Rabbit | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 673 | 11 | 0 | 4 | 7.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL209333 | 77874 | 0 | None | - | 1 | Rabbit | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 673 | 11 | 0 | 4 | 7.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| 44432977 | 151680 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 619 | 5 | 7 | 6 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| CHEMBL396413 | 151680 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 619 | 5 | 7 | 6 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| 44432975 | 87740 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 591 | 5 | 5 | 6 | 2.2 | CNC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| CHEMBL233711 | 87740 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 591 | 5 | 5 | 6 | 2.2 | CNC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| 44432974 | 87564 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 5 | 5 | 6 | 1.8 | CNC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| CHEMBL233560 | 87564 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 5 | 5 | 6 | 1.8 | CNC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| 9895192 | 77855 | 0 | None | -38 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL209301 | 77855 | 0 | None | -38 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| 44412878 | 141082 | 0 | None | 5 | 2 | Rabbit | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 707 | 11 | 0 | 4 | 8.6 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL382612 | 141082 | 0 | None | 5 | 2 | Rabbit | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 707 | 11 | 0 | 4 | 8.6 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| 44412894 | 138910 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 718 | 12 | 0 | 6 | 7.8 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL378317 | 138910 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 718 | 12 | 0 | 6 | 7.8 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| 25114977 | 147009 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 594 | 5 | 4 | 7 | 2.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2cccn2)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| CHEMBL392657 | 147009 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 594 | 5 | 4 | 7 | 2.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2cccn2)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| 12016400 | 168960 | 0 | None | 11 | 2 | Rabbit | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL438962 | 168960 | 0 | None | 11 | 2 | Rabbit | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| 44412894 | 138910 | 0 | None | 1 | 2 | Rabbit | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 718 | 12 | 0 | 6 | 7.8 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL378317 | 138910 | 0 | None | 1 | 2 | Rabbit | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 718 | 12 | 0 | 6 | 7.8 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | ||
| 11994554 | 80572 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | ||
| CHEMBL214935 | 80572 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | ||
| 11994554 | 80572 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| CHEMBL214935 | 80572 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| 9895192 | 77855 | 0 | None | 38 | 2 | Rabbit | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL209301 | 77855 | 0 | None | 38 | 2 | Rabbit | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| 44432973 | 98312 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 4 | 5 | 6 | 1.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| CHEMBL274876 | 98312 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 4 | 5 | 6 | 1.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| 44432976 | 154864 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 571 | 5 | 4 | 6 | 2.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| CHEMBL400635 | 154864 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 571 | 5 | 4 | 6 | 2.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O | 10.1016/j.bmcl.2007.05.043 | ||
| 23557218 | 139556 | 0 | None | -38 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL379665 | 139556 | 0 | None | -38 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | ||
| CHEMBL496391 | 214083 | 0 | None | - | 1 | Rabbit | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | None | None | None | CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | ||||
| CHEMBL496389 | 214081 | 0 | None | - | 1 | Rabbit | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O | 10.1016/j.bmcl.2009.05.059 | ||||
| CHEMBL497004 | 214084 | 0 | None | - | 1 | Rabbit | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)(C)c1cc(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)c2ccccc2)C(N)=O)ccc1O | 10.1016/j.bmcl.2009.05.059 | ||||
| 44583348 | 187840 | 0 | None | - | 1 | Rabbit | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 510 | 10 | 3 | 5 | 2.6 | CC(C)[C@@H](C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | ||
| CHEMBL496190 | 187840 | 0 | None | - | 1 | Rabbit | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 510 | 10 | 3 | 5 | 2.6 | CC(C)[C@@H](C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | ||
| 9956253 | 187841 | 0 | None | - | 1 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 467 | 9 | 3 | 4 | 3.8 | CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(C(C)(C)C)c1)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | ||
| CHEMBL496191 | 187841 | 0 | None | - | 1 | Rabbit | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 467 | 9 | 3 | 4 | 3.8 | CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(C(C)(C)C)c1)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | ||
| 44583286 | 193450 | 0 | None | - | 1 | Rabbit | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 564 | 6 | 5 | 6 | 2.8 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCCC(=O)CCNC2=O)ccc1O | 10.1016/j.bmcl.2009.05.059 | ||
| CHEMBL526496 | 193450 | 0 | None | - | 1 | Rabbit | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 564 | 6 | 5 | 6 | 2.8 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCCC(=O)CCNC2=O)ccc1O | 10.1016/j.bmcl.2009.05.059 | ||
| CHEMBL496390 | 214082 | 0 | None | - | 1 | Rabbit | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O | 10.1016/j.bmcl.2009.05.059 | ||||
| 44583347 | 187820 | 0 | None | - | 1 | Rabbit | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 496 | 10 | 4 | 5 | 2.3 | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O | 10.1016/j.bmcl.2009.05.059 | ||
| CHEMBL495994 | 187820 | 0 | None | - | 1 | Rabbit | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 496 | 10 | 4 | 5 | 2.3 | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O | 10.1016/j.bmcl.2009.05.059 | ||
| CHEMBL502792 | 214158 | 0 | None | - | 1 | Rabbit | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)(C)c1cc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2ccccc2)C(N)=O)ccc1O | 10.1016/j.bmcl.2009.05.059 | ||||
| 1466 | 1828 | 0 | None | - | 1 | Rabbit | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 10081621 | ||||
| 1466 | 1828 | 0 | None | - | 1 | Rabbit | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 7752063 | ||||
| 9850904 | 1828 | 0 | None | - | 1 | Rabbit | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 10081621 | ||||
| 9850904 | 1828 | 0 | None | - | 1 | Rabbit | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 7752063 | ||||
| CHEMBL3143516 | 1828 | 0 | None | - | 1 | Rabbit | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 10081621 | ||||
| CHEMBL3143516 | 1828 | 0 | None | - | 1 | Rabbit | 7.4 | pA2 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 7752063 | ||||
| 4036 | 2452 | 0 | None | - | 1 | Human | 9.2 | pA2 | = | 9.2 | Functional | Guide to Pharmacology | 592 | 12 | 4 | 5 | 3.7 | CCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1ccc(cc1)F)NC)C)C(C)C)Cc1ccc(c(c1)C(C)(C)C)O.Cl | 18164286 | ||
| 73755070 | 2452 | 0 | None | - | 1 | Human | 9.2 | pA2 | = | 9.2 | Functional | Guide to Pharmacology | 592 | 12 | 4 | 5 | 3.7 | CCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1ccc(cc1)F)NC)C)C(C)C)Cc1ccc(c(c1)C(C)(C)C)O.Cl | 18164286 | ||
| 138107041 | 561 | 65 | None | 60 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | None | ||
| 276 | 561 | 65 | None | 60 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | None | ||
| 447043 | 561 | 65 | None | 60 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | None | ||
| 6510 | 561 | 65 | None | 60 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | None | ||
| CHEMBL529 | 561 | 65 | None | 60 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | None | ||
| DB00207 | 561 | 65 | None | 60 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | None | ||
| 138107041 | 561 | 65 | None | 60 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | Guide to Pharmacology | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | 23190027 | ||
| 276 | 561 | 65 | None | 60 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | Guide to Pharmacology | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | 23190027 | ||
| 447043 | 561 | 65 | None | 60 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | Guide to Pharmacology | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | 23190027 | ||
| 6510 | 561 | 65 | None | 60 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | Guide to Pharmacology | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | 23190027 | ||
| CHEMBL529 | 561 | 65 | None | 60 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | Guide to Pharmacology | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | 23190027 | ||
| DB00207 | 561 | 65 | None | 60 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | Guide to Pharmacology | 749 | 7 | 5 | 14 | 1.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O | 23190027 | ||
| 177964 | 2544 | 2 | None | -3 | 2 | Rabbit | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 755 | 9 | 2 | 13 | 4.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C | 17183187 | ||
| 3511 | 2544 | 2 | None | -3 | 2 | Rabbit | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 755 | 9 | 2 | 13 | 4.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C | 17183187 | ||
| CHEMBL1778156 | 2544 | 2 | None | -3 | 2 | Rabbit | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 755 | 9 | 2 | 13 | 4.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C | 17183187 | ||
| 15984937 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 19374732 | ||
| 15984937 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 25341626 | ||
| 4035 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 19374732 | ||
| 4035 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 25341626 | ||
| CHEMBL489095 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 19374732 | ||
| CHEMBL489095 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 25341626 | ||
| DB12567 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 19374732 | ||
| DB12567 | 785 | 31 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 424 | 6 | 2 | 4 | 3.3 | C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F | 25341626 | ||
| 11902 | 1487 | 8 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 465 | 7 | 2 | 5 | 3.9 | C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2)CCN1 | 35051575 | ||
| 56960876 | 1487 | 8 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 465 | 7 | 2 | 5 | 3.9 | C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2)CCN1 | 35051575 | ||
| CHEMBL5201797 | 1487 | 8 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | 465 | 7 | 2 | 5 | 3.9 | C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2)CCN1 | 35051575 | ||
| 139592915 | 3374 | 35 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | ||
| 1465 | 3374 | 35 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | ||
| 2410 | 3374 | 35 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | ||
| 6915744 | 3374 | 35 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | ||
| CHEMBL1214185 | 3374 | 35 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | ||
| DB00778 | 3374 | 35 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | None | ||
| 1048 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10381885 | ||
| 1048 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 15764739 | ||
| 12560 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10381885 | ||
| 12560 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 15764739 | ||
| 1456 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10381885 | ||
| 1456 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 15764739 | ||
| CHEMBL532 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10381885 | ||
| CHEMBL532 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 15764739 | ||
| DB00199 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10381885 | ||
| DB00199 | 1585 | 76 | None | 2 | 4 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 15764739 | ||
| 1444 | 341 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 697 | 8 | 2 | 11 | 5.2 | CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@@H](C)C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C2=C(C[C@@]1(C)O2)C)C)O)C)CC)C | 15764739 | ||
| 9918079 | 341 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 697 | 8 | 2 | 11 | 5.2 | CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@@H](C)C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C2=C(C[C@@]1(C)O2)C)C)O)C)CC)C | 15764739 | ||
| CHEMBL300049 | 341 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 697 | 8 | 2 | 11 | 5.2 | CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@@H](C)C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C2=C(C[C@@]1(C)O2)C)C)O)C)CC)C | 15764739 | ||
| 1466 | 1828 | 0 | None | - | 1 | Rabbit | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 11806718 | ||||
| 9850904 | 1828 | 0 | None | - | 1 | Rabbit | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 11806718 | ||||
| CHEMBL3143516 | 1828 | 0 | None | - | 1 | Rabbit | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 11806718 | ||||
| 177964 | 2544 | 2 | None | -3 | 2 | Rabbit | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 755 | 9 | 2 | 13 | 4.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C | 10081621 | ||
| 3511 | 2544 | 2 | None | -3 | 2 | Rabbit | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 755 | 9 | 2 | 13 | 4.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C | 10081621 | ||
| CHEMBL1778156 | 2544 | 2 | None | -3 | 2 | Rabbit | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 755 | 9 | 2 | 13 | 4.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C | 10081621 | ||
| 1447 | 2478 | 0 | None | - | 1 | Human | 4.7 | pIC50 | None | 4.7 | Functional | Guide to Pharmacology | 747 | 8 | 5 | 14 | 2.2 | CCN(C1CC(C)OC(C1O)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O)C | 15764739 | ||
| 14487390 | 2478 | 0 | None | - | 1 | Human | 4.7 | pIC50 | None | 4.7 | Functional | Guide to Pharmacology | 747 | 8 | 5 | 14 | 2.2 | CCN(C1CC(C)OC(C1O)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O)C | 15764739 | ||
| 139592915 | 3374 | 35 | None | 3 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10381885 | ||
| 1465 | 3374 | 35 | None | 3 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10381885 | ||
| 2410 | 3374 | 35 | None | 3 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10381885 | ||
| 6915744 | 3374 | 35 | None | 3 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10381885 | ||
| CHEMBL1214185 | 3374 | 35 | None | 3 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10381885 | ||
| DB00778 | 3374 | 35 | None | 3 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10381885 | ||
| 1448 | 2479 | 34 | None | -2 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 15764739 | ||
| 83954 | 2479 | 34 | None | -2 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 15764739 | ||
| CHEMBL300004 | 2479 | 34 | None | -2 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 15764739 | ||
| 10032648 | 2480 | 0 | None | - | 1 | Human | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | 699 | 7 | 3 | 12 | 3.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H]([C@H]([C@@H]1C)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 15764739 | ||
| 1449 | 2480 | 0 | None | - | 1 | Human | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | 699 | 7 | 3 | 12 | 3.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H]([C@H]([C@@H]1C)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 15764739 | ||
| 1445 | 1550 | 0 | None | - | 1 | Human | 6.6 | pIC50 | None | 6.6 | Functional | Guide to Pharmacology | 729 | 8 | 4 | 13 | 3.3 | CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@@H](C)C(=O)O[C@@H]([C@@]([C@@H]([C@H](C2=C(C[C@]1(C)O2)C)C)O)(C)O)CC)C | 15764739 | ||
| 184178 | 1550 | 0 | None | - | 1 | Human | 6.6 | pIC50 | None | 6.6 | Functional | Guide to Pharmacology | 729 | 8 | 4 | 13 | 3.3 | CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@@H](C)C(=O)O[C@@H]([C@@]([C@@H]([C@H](C2=C(C[C@]1(C)O2)C)C)O)(C)O)CC)C | 15764739 | ||
| 1460 | 2599 | 0 | None | - | 1 | Human | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 155817408 | 2599 | 0 | None | - | 1 | Human | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 10259168 | 2199 | 0 | None | - | 1 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | 699 | 7 | 3 | 12 | 3.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 15764739 | ||
| 1446 | 2199 | 0 | None | - | 1 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | 699 | 7 | 3 | 12 | 3.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 15764739 | ||
| CHEMBL51522 | 2199 | 0 | None | - | 1 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | 699 | 7 | 3 | 12 | 3.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 15764739 | ||
| 1464 | 2603 | 0 | None | - | 1 | Human | 7.5 | pIC50 | None | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 155817411 | 2603 | 0 | None | - | 1 | Human | 7.5 | pIC50 | None | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 1454 | 3105 | 0 | None | - | 1 | Human | 8.9 | pIC50 | None | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 101650014 | 2299 | 0 | None | - | 1 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 1453 | 2299 | 0 | None | - | 1 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 16198245 | 2299 | 0 | None | - | 1 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 91898971 | 2299 | 0 | None | - | 1 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 101930759 | 2600 | 0 | None | - | 1 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 1461 | 2600 | 0 | None | - | 1 | Human | 9.0 | pIC50 | None | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 1457 | 2598 | 0 | None | - | 1 | Human | 9.3 | pIC50 | None | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 155817406 | 2598 | 0 | None | - | 1 | Human | 9.3 | pIC50 | None | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 16139289 | 2598 | 0 | None | - | 1 | Human | 9.3 | pIC50 | None | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 71311666 | 2598 | 0 | None | - | 1 | Human | 9.3 | pIC50 | None | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 1462 | 2601 | 0 | None | - | 1 | Human | 9.5 | pIC50 | None | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 155817409 | 2601 | 0 | None | - | 1 | Human | 9.5 | pIC50 | None | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 1463 | 2602 | 0 | None | - | 1 | Human | 9.5 | pIC50 | None | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 155817410 | 2602 | 0 | None | - | 1 | Human | 9.5 | pIC50 | None | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 1455 | 2829 | 0 | None | - | 1 | Human | 9.5 | pIC50 | None | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 1459 | 2597 | 0 | None | - | 1 | Human | 9.7 | pIC50 | None | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 155817407 | 2597 | 0 | None | - | 1 | Human | 9.7 | pIC50 | None | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | 10381885 | ||||
| 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 |
| 103 | 4153 | 61 | None | - | 53 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 2875 | 4153 | 61 | None | - | 53 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 5736 | 4153 | 61 | None | - | 53 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL285802 | 4153 | 61 | None | - | 53 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| DB09225 | 4153 | 61 | None | - | 53 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 1385580 | 29276 | 76 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 4615 | 29276 | 76 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL13828 | 29276 | 76 | None | - | 5 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 392622 | 56312 | 95 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL163 | 56312 | 95 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| 26987 | 949 | 33 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
| 6063 | 949 | 33 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
| 671 | 949 | 33 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1626 | 949 | 33 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
| DB00283 | 949 | 33 | None | - | 21 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41467-023-40064-9 | |||
| 65866 | 94264 | 73 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 611 | 12 | 1 | 8 | 6.5 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL250270 | 94264 | 73 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 611 | 12 | 1 | 8 | 6.5 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 41684 | 31221 | 105 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1401 | 31221 | 105 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| 127151 | 35330 | 18 | None | - | 10 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 313 | 6 | 1 | 4 | 3.2 | CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 | 10.1038/s41467-023-40064-9 | |||
| 3022645 | 35330 | 18 | None | - | 10 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 313 | 6 | 1 | 4 | 3.2 | CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL14370 | 35330 | 18 | None | - | 10 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 313 | 6 | 1 | 4 | 3.2 | CCOc1ccccc1OC(c1ccccc1)C1CNCCO1 | 10.1038/s41467-023-40064-9 | |||
| 10184665 | 3991 | 51 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| 4799 | 3991 | 51 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| 7353 | 3991 | 51 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1198857 | 3991 | 51 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| DB09082 | 3991 | 51 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1038/s41467-023-40064-9 | |||
| 25382 | 9157 | 37 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL110094 | 9157 | 37 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 291 | 3 | 0 | 1 | 4.7 | CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 24826799 | 10798 | 104 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1171837 | 10798 | 104 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
| 16722836 | 18985 | 99 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 524 | 10 | 3 | 8 | 4.8 | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1287853 | 18985 | 99 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 524 | 10 | 3 | 8 | 4.8 | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | 10.1038/s41467-023-40064-9 | |||
| 3784 | 57172 | 101 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 371 | 4 | 1 | 8 | 2.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1648 | 57172 | 101 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 371 | 4 | 1 | 8 | 2.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12 | 10.1038/s41467-023-40064-9 | |||
| 4942 | 5718 | 50 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 367 | 7 | 0 | 4 | 4.0 | CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1078261 | 5718 | 50 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 367 | 7 | 0 | 4 | 4.0 | CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3191 | 102858 | 97 | None | - | 25 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL305660 | 102858 | 97 | None | - | 25 | Human | 6.8 | pAC50 | = | 6.8 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 176 | 398 | 66 | None | - | 31 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2157 | 398 | 66 | None | - | 31 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2566 | 398 | 66 | None | - | 31 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL633 | 398 | 66 | None | - | 31 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01118 | 398 | 66 | None | - | 31 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 65948 | 18556 | 109 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1275868 | 18556 | 109 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | |||
| 5284535 | 59111 | 26 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 392 | 2 | 3 | 5 | 1.9 | C[C@]12C=CC(=O)C=C1C(Cl)=C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1697832 | 59111 | 26 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 392 | 2 | 3 | 5 | 1.9 | C[C@]12C=CC(=O)C=C1C(Cl)=C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO | 10.1038/s41467-023-40064-9 | |||
| 154257 | 178619 | 67 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL46740 | 178619 | 67 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 6.3 | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 | 10.1038/s41467-023-40064-9 | |||
| 11626560 | 200937 | 94 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL601719 | 200937 | 94 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
| 135409453 | 3773 | 41 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 226 | 3773 | 41 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL76370 | 3773 | 41 | None | - | 2 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 65709 | 59881 | 39 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1729803 | 59881 | 39 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 365 | 8 | 0 | 5 | 3.3 | CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 25181577 | 78219 | 56 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2105695 | 78219 | 56 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 16362 | 3125 | 71 | None | - | 30 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2172 | 3125 | 71 | None | - | 30 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 90 | 3125 | 71 | None | - | 30 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1423 | 3125 | 71 | None | - | 30 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01100 | 3125 | 71 | None | - | 30 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 240 | 944 | 43 | None | - | 24 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| 2769 | 944 | 43 | None | - | 24 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| 44279790 | 944 | 43 | None | - | 24 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| 660 | 944 | 43 | None | - | 24 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1729 | 944 | 43 | None | - | 24 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL560739 | 944 | 43 | None | - | 24 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| DB00604 | 944 | 43 | None | - | 24 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| 68617 | 205527 | 62 | None | - | 26 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1709 | 205527 | 62 | None | - | 26 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL809 | 205527 | 62 | None | - | 26 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 11976 | 920 | 59 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
| 667467 | 920 | 59 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL908 | 920 | 59 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01239 | 920 | 59 | None | - | 24 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | |||
| 275196 | 125673 | 52 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL364713 | 125673 | 52 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | |||
| 2351 | 4300 | 49 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1008 | 4300 | 49 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1257078 | 4300 | 49 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
| 4150 | 788 | 39 | None | - | 11 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| 5288 | 788 | 39 | None | - | 11 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| 644019 | 788 | 39 | None | - | 11 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL190461 | 788 | 39 | None | - | 11 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| DB09061 | 788 | 39 | None | - | 11 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | |||
| 118422671 | 2757 | 65 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 1887 | 2757 | 65 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 71301 | 2757 | 65 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 7246 | 2757 | 65 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL434394 | 2757 | 65 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| DB04861 | 2757 | 65 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | |||
| 104850 | 3330 | 96 | None | - | 5 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 4150 | 3330 | 96 | None | - | 5 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 743 | 3330 | 96 | None | - | 5 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL111 | 3330 | 96 | None | - | 5 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| DB06155 | 3330 | 96 | None | - | 5 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 3926 | 207241 | 40 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL92870 | 207241 | 40 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 156419 | 938 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 3308 | 938 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 647 | 938 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201284 | 938 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| DB01012 | 938 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 2540 | 4401 | 111 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1014 | 4401 | 111 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 135564886 | 14493 | 5 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 135673376 | 14493 | 5 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 137157436 | 14493 | 5 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 145948239 | 14493 | 5 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 71587099 | 14493 | 5 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201304 | 14493 | 5 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 51755 | 57406 | 54 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1651990 | 57406 | 54 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 44112 | 121290 | 48 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL357995 | 121290 | 48 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | 10.1038/s41467-023-40064-9 | |||
| 1048 | 1585 | 76 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1038/s41467-023-40064-9 | |||
| 12560 | 1585 | 76 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1038/s41467-023-40064-9 | |||
| 1456 | 1585 | 76 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL532 | 1585 | 76 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1038/s41467-023-40064-9 | |||
| DB00199 | 1585 | 76 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1038/s41467-023-40064-9 | |||
| 5282138 | 173123 | 95 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 492 | 10 | 1 | 8 | 4.3 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL452076 | 173123 | 95 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 492 | 10 | 1 | 8 | 4.3 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 6436173 | 55116 | 45 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1617 | 55116 | 45 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 32798 | 10176 | 69 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 466 | 4 | 1 | 5 | 4.1 | CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1159650 | 10176 | 69 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 466 | 4 | 1 | 5 | 4.1 | CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 16363 | 596 | 53 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 312 | 596 | 53 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 9215 | 596 | 53 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL297302 | 596 | 53 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB12867 | 596 | 53 | None | - | 7 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 381 | 6 | 1 | 4 | 3.8 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 17676 | 7072 | 29 | None | - | 3 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
| 5281082 | 7072 | 29 | None | - | 3 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1085 | 7072 | 29 | None | - | 3 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 411 | 7 | 1 | 6 | 3.5 | CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | |||
| 3401 | 78283 | 80 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 346 | 4 | 0 | 2 | 5.0 | Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2107430 | 78283 | 80 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 346 | 4 | 0 | 2 | 5.0 | Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 54682461 | 84686 | 62 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL222559 | 84686 | 62 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | |||
| 4413 | 98073 | 57 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL273264 | 98073 | 57 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 4495 | 196535 | 92 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL56367 | 196535 | 92 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 2335 | 11848 | 22 | None | - | 12 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 8478 | 11848 | 22 | None | - | 12 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1182210 | 11848 | 22 | None | - | 12 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL221753 | 11848 | 22 | None | - | 12 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 216239 | 23795 | 118 | None | - | 7 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200485 | 23795 | 118 | None | - | 7 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1336 | 23795 | 118 | None | - | 7 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| 3474 | 38101 | 57 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL146095 | 38101 | 57 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | |||
| 169870 | 14441 | 67 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 6.0 | CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200848 | 14441 | 67 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 428 | 6 | 0 | 4 | 6.0 | CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 216416 | 111581 | 48 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL328190 | 111581 | 48 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 4746 | 204891 | 31 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1334033 | 204891 | 31 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL75880 | 204891 | 31 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 5.3 | C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 3149 | 12614 | 15 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1187011 | 12614 | 15 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 60065 | 84369 | 6 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2218858 | 84369 | 6 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 505 | 7 | 1 | 8 | 4.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 131411 | 15392 | 70 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 6 | 5.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | 10.1038/s41467-023-40064-9 | |||
| 28446253 | 15392 | 70 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 6 | 5.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1214598 | 15392 | 70 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 476 | 7 | 1 | 6 | 5.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 | 10.1038/s41467-023-40064-9 | |||
| 2435 | 3590 | 83 | None | - | 48 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| 60149 | 3590 | 83 | None | - | 48 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| 98 | 3590 | 83 | None | - | 48 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL12713 | 3590 | 83 | None | - | 48 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| DB06144 | 3590 | 83 | None | - | 48 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | |||
| 11643449 | 89955 | 3 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 753 | 6 | 5 | 10 | 2.7 | CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL238071 | 89955 | 3 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 753 | 6 | 5 | 10 | 2.7 | CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 | 10.1038/s41467-023-40064-9 | |||
| 202 | 1508 | 77 | None | - | 30 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 60835 | 1508 | 77 | None | - | 30 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 972 | 1508 | 77 | None | - | 30 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1175 | 1508 | 77 | None | - | 30 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00476 | 1508 | 77 | None | - | 30 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 72093 | 35061 | 9 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1433361 | 35061 | 9 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2103773 | 35061 | 9 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
| 25077405 | 2715 | 0 | None | - | 1 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 3902 | 2715 | 0 | None | - | 1 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| CHEMBL1201309 | 2715 | 0 | None | - | 1 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| DB00666 | 2715 | 0 | None | - | 1 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 2247 | 505 | 81 | None | - | 42 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 249 | 505 | 81 | None | - | 42 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2603 | 505 | 81 | None | - | 42 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL296419 | 505 | 81 | None | - | 42 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00637 | 505 | 81 | None | - | 42 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 148192 | 10420 | 81 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 4.2 | COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1163 | 10420 | 81 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 4.2 | COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C | 10.1038/s41467-023-40064-9 | |||
| 71496458 | 115564 | 87 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL3353410 | 115564 | 87 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 499 | 10 | 2 | 8 | 4.5 | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C | 10.1038/s41467-023-40064-9 | |||
| 65016 | 10209 | 86 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 505 | 11 | 3 | 7 | 2.4 | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL116 | 10209 | 86 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 505 | 11 | 3 | 7 | 2.4 | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5329102 | 194726 | 86 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL535 | 194726 | 86 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
| 2585 | 803 | 103 | None | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 522 | 803 | 103 | None | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 551 | 803 | 103 | None | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL723 | 803 | 103 | None | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| DB01136 | 803 | 103 | None | - | 21 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 444029 | 167757 | 10 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 509 | 6 | 2 | 9 | 2.0 | C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]2(C)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL4303178 | 167757 | 10 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 509 | 6 | 2 | 9 | 2.0 | C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]2(C)O1 | 10.1038/s41467-023-40064-9 | |||
| 2713 | 205271 | 82 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5353524 | 205271 | 82 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5360566 | 205271 | 82 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 88536661 | 205271 | 82 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 9552079 | 205271 | 82 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1330113 | 205271 | 82 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL790 | 205271 | 82 | None | - | 0 | Human | 6.1 | pAC50 | = | 6.1 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 214 | 3860 | 58 | None | - | 30 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 2740 | 3860 | 58 | None | - | 30 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 5566 | 3860 | 58 | None | - | 30 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 66064 | 3860 | 58 | None | - | 30 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL422 | 3860 | 58 | None | - | 30 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| DB00831 | 3860 | 58 | None | - | 30 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 68867 | 78173 | 38 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 402 | 7 | 2 | 6 | 3.1 | CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2104523 | 78173 | 38 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 402 | 7 | 2 | 6 | 3.1 | CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 11980903 | 14492 | 19 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 22526 | 14492 | 19 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5281035 | 14492 | 19 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201303 | 14492 | 19 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 242 | 470 | 124 | None | - | 51 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 34 | 470 | 124 | None | - | 51 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 60795 | 470 | 124 | None | - | 51 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1112 | 470 | 124 | None | - | 51 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01238 | 470 | 124 | None | - | 51 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 139592915 | 3374 | 35 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10.1038/s41467-023-40064-9 | |||
| 1465 | 3374 | 35 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10.1038/s41467-023-40064-9 | |||
| 2410 | 3374 | 35 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10.1038/s41467-023-40064-9 | |||
| 6915744 | 3374 | 35 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1214185 | 3374 | 35 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10.1038/s41467-023-40064-9 | |||
| DB00778 | 3374 | 35 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 837 | 13 | 5 | 17 | 2.2 | COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C | 10.1038/s41467-023-40064-9 | |||
| 445643 | 97389 | 69 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL269732 | 97389 | 69 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| 1222 | 1664 | 49 | None | - | 33 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 3396 | 1664 | 49 | None | - | 33 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 85 | 1664 | 49 | None | - | 33 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL46516 | 1664 | 49 | None | - | 33 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB04842 | 1664 | 49 | None | - | 33 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 16752689 | 188368 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1021/jm301653f | |||
| CHEMBL501315 | 188368 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1021/jm301653f | |||
| CHEMBL496391 | 214083 | 0 | None | - | 1 | Rabbit | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | |||||
| 11018075 | 100388 | 0 | None | - | 0 | Rabbit | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 739 | 9 | 1 | 12 | 5.6 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL289955 | 100388 | 0 | None | - | 0 | Rabbit | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 739 | 9 | 1 | 12 | 5.6 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 44290233 | 172826 | 0 | None | - | 0 | Rabbit | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 723 | 9 | 0 | 11 | 6.6 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2CC(N(C)C(C)C)CC(C)O2)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL45141 | 172826 | 0 | None | - | 0 | Rabbit | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 723 | 9 | 0 | 11 | 6.6 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2CC(N(C)C(C)C)CC(C)O2)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 9956253 | 187841 | 0 | None | - | 1 | Rabbit | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 467 | 9 | 3 | 4 | 3.8 | CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(C(C)(C)C)c1)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | |||
| CHEMBL496191 | 187841 | 0 | None | - | 1 | Rabbit | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 467 | 9 | 3 | 4 | 3.8 | CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(C(C)(C)C)c1)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | |||
| 9895192 | 77855 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL209301 | 77855 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44412981 | 138340 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 704 | 11 | 2 | 5 | 7.3 | O=C(Nc1ccccc1)N(CC1=C[C@@](Cc2cccc(Cl)c2)(NC(=O)C(Cl)(Cl)Cl)CC1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL377137 | 138340 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 704 | 11 | 2 | 5 | 7.3 | O=C(Nc1ccccc1)N(CC1=C[C@@](Cc2cccc(Cl)c2)(NC(=O)C(Cl)(Cl)Cl)CC1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 1466 | 1828 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010332u | |||||
| 9850904 | 1828 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010332u | |||||
| CHEMBL3143516 | 1828 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010332u | |||||
| 10122749 | 78312 | 0 | None | - | 0 | Rabbit | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 691 | 13 | 1 | 7 | 7.2 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL210899 | 78312 | 0 | None | - | 0 | Rabbit | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 691 | 13 | 1 | 7 | 7.2 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44583286 | 193450 | 0 | None | - | 1 | Rabbit | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 6 | 5 | 6 | 2.8 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCCC(=O)CCNC2=O)ccc1O | 10.1016/j.bmcl.2009.05.059 | |||
| CHEMBL526496 | 193450 | 0 | None | - | 1 | Rabbit | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 6 | 5 | 6 | 2.8 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCCC(=O)CCNC2=O)ccc1O | 10.1016/j.bmcl.2009.05.059 | |||
| CHEMBL497004 | 214084 | 0 | None | - | 1 | Rabbit | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)(C)c1cc(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)c2ccccc2)C(N)=O)ccc1O | 10.1016/j.bmcl.2009.05.059 | |||||
| 44412894 | 138910 | 0 | None | - | 0 | Rabbit | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 718 | 12 | 0 | 6 | 7.8 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL378317 | 138910 | 0 | None | - | 0 | Rabbit | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 718 | 12 | 0 | 6 | 7.8 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44380651 | 120132 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 757 | 9 | 3 | 13 | 4.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL351216 | 120132 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 757 | 9 | 3 | 13 | 4.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| 44276703 | 99284 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 715 | 7 | 3 | 13 | 3.0 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL281952 | 99284 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 715 | 7 | 3 | 13 | 3.0 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C | 10.1016/0960-894X(95)00122-A | |||
| 44276703 | 99284 | 0 | None | - | 0 | Rabbit | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 715 | 7 | 3 | 13 | 3.0 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL281952 | 99284 | 0 | None | - | 0 | Rabbit | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 715 | 7 | 3 | 13 | 3.0 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C | 10.1016/S0960-894X(01)80359-0 | |||
| 44276703 | 99284 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 715 | 7 | 3 | 13 | 3.0 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL281952 | 99284 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 715 | 7 | 3 | 13 | 3.0 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C | 10.1016/0960-894X(95)00122-A | |||
| 44276703 | 99284 | 0 | None | - | 0 | Rabbit | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 715 | 7 | 3 | 13 | 3.0 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL281952 | 99284 | 0 | None | - | 0 | Rabbit | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 715 | 7 | 3 | 13 | 3.0 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)C3(O2)O[C@]1(C)[C@H](O)[C@H]3C | 10.1016/S0960-894X(01)80359-0 | |||
| 11767227 | 106691 | 0 | None | - | 0 | Rabbit | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 607 | 6 | 6 | 6 | 2.7 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCCCCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL3143521 | 106691 | 0 | None | - | 0 | Rabbit | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 607 | 6 | 6 | 6 | 2.7 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCCCCNC2=O)ccc1O | 10.1021/jm010332u | |||
| 10940742 | 115415 | 0 | None | - | 0 | Rabbit | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 6 | 6 | 6 | 1.6 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL3350348 | 115415 | 0 | None | - | 0 | Rabbit | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 6 | 6 | 6 | 1.6 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL524083 | 215600 | 0 | None | - | 0 | Rabbit | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O | 10.1016/j.bmcl.2009.05.059 | |||||
| 44290232 | 101384 | 0 | None | - | 0 | Rabbit | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 711 | 8 | 1 | 12 | 4.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL297168 | 101384 | 0 | None | - | 0 | Rabbit | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 711 | 8 | 1 | 12 | 4.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 11018075 | 100388 | 0 | None | - | 0 | Rabbit | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 739 | 9 | 1 | 12 | 5.6 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL289955 | 100388 | 0 | None | - | 0 | Rabbit | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 739 | 9 | 1 | 12 | 5.6 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 9809991 | 139522 | 0 | None | - | 0 | Rabbit | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 670 | 11 | 2 | 5 | 6.6 | O=C(Nc1ccccc1)N(CC1=C[C@@](Cc2ccccc2)(NC(=O)C(Cl)(Cl)Cl)CC1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL379519 | 139522 | 0 | None | - | 0 | Rabbit | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 670 | 11 | 2 | 5 | 6.6 | O=C(Nc1ccccc1)N(CC1=C[C@@](Cc2ccccc2)(NC(=O)C(Cl)(Cl)Cl)CC1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 10211030 | 77745 | 0 | None | - | 0 | Rabbit | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 610 | 11 | 1 | 4 | 7.8 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL209024 | 77745 | 0 | None | - | 0 | Rabbit | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 610 | 11 | 1 | 4 | 7.8 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44374025 | 52180 | 0 | None | - | 0 | Rabbit | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 565 | 6 | 6 | 6 | 1.6 | CC(C)(C)c1cc(CC2NC(=O)[C@@H](NC(=O)C(N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL158821 | 52180 | 0 | None | - | 0 | Rabbit | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 565 | 6 | 6 | 6 | 1.6 | CC(C)(C)c1cc(CC2NC(=O)[C@@H](NC(=O)C(N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O | 10.1021/jm010332u | |||
| 1448 | 2479 | 34 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/0960-894X(95)00122-A | |||
| 83954 | 2479 | 34 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL300004 | 2479 | 34 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/0960-894X(95)00122-A | |||
| 1448 | 2479 | 34 | None | - | 0 | Rabbit | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/S0960-894X(01)80359-0 | |||
| 83954 | 2479 | 34 | None | - | 0 | Rabbit | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL300004 | 2479 | 34 | None | - | 0 | Rabbit | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/S0960-894X(01)80359-0 | |||
| 44583347 | 187820 | 0 | None | - | 1 | Rabbit | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 496 | 10 | 4 | 5 | 2.3 | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O | 10.1016/j.bmcl.2009.05.059 | |||
| CHEMBL495994 | 187820 | 0 | None | - | 1 | Rabbit | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 496 | 10 | 4 | 5 | 2.3 | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O | 10.1016/j.bmcl.2009.05.059 | |||
| 11081770 | 89459 | 0 | None | - | 0 | Rabbit | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 509 | 6 | 6 | 6 | 0.3 | N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)CCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm010332u | |||
| CHEMBL2371260 | 89459 | 0 | None | - | 0 | Rabbit | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 509 | 6 | 6 | 6 | 0.3 | N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)CCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm010332u | |||
| CHEMBL496390 | 214082 | 0 | None | - | 1 | Rabbit | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O | 10.1016/j.bmcl.2009.05.059 | |||||
| 23557218 | 139556 | 0 | None | - | 0 | Rabbit | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL379665 | 139556 | 0 | None | - | 0 | Rabbit | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44380970 | 120400 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 715 | 8 | 4 | 13 | 3.0 | CCC1OC(=O)C(C)C(OC2C[C@@](C)(OC)[C@@H](O)C(C)O2)C[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL353526 | 120400 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 715 | 8 | 4 | 13 | 3.0 | CCC1OC(=O)C(C)C(OC2C[C@@](C)(OC)[C@@H](O)C(C)O2)C[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/0960-894X(95)00122-A | |||
| 44276737 | 97378 | 0 | None | - | 0 | Rabbit | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 729 | 8 | 4 | 13 | 3.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL26966 | 97378 | 0 | None | - | 0 | Rabbit | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 729 | 8 | 4 | 13 | 3.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80359-0 | |||
| 44276737 | 97378 | 0 | None | - | 0 | Rabbit | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 729 | 8 | 4 | 13 | 3.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL26966 | 97378 | 0 | None | - | 0 | Rabbit | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 729 | 8 | 4 | 13 | 3.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80583-7 | |||
| 1448 | 2479 | 34 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/0960-894X(95)00122-A | |||
| 83954 | 2479 | 34 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL300004 | 2479 | 34 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/0960-894X(95)00122-A | |||
| 1448 | 2479 | 34 | None | - | 0 | Rabbit | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/S0960-894X(01)80359-0 | |||
| 83954 | 2479 | 34 | None | - | 0 | Rabbit | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL300004 | 2479 | 34 | None | - | 0 | Rabbit | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 715 | 7 | 4 | 13 | 2.9 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C | 10.1016/S0960-894X(01)80359-0 | |||
| 44290012 | 168161 | 0 | None | - | 0 | Rabbit | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 725 | 9 | 1 | 12 | 5.2 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL43313 | 168161 | 0 | None | - | 0 | Rabbit | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 725 | 9 | 1 | 12 | 5.2 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 44276779 | 96871 | 0 | None | - | 0 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 741 | 9 | 2 | 13 | 4.1 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL265495 | 96871 | 0 | None | - | 0 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 741 | 9 | 2 | 13 | 4.1 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| 44290012 | 168161 | 0 | None | - | 0 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 725 | 9 | 1 | 12 | 5.2 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL43313 | 168161 | 0 | None | - | 0 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 725 | 9 | 1 | 12 | 5.2 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 44276779 | 96871 | 0 | None | - | 0 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 741 | 9 | 2 | 13 | 4.1 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL265495 | 96871 | 0 | None | - | 0 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 741 | 9 | 2 | 13 | 4.1 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 44290232 | 101384 | 0 | None | - | 0 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 711 | 8 | 1 | 12 | 4.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL297168 | 101384 | 0 | None | - | 0 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 711 | 8 | 1 | 12 | 4.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)CC(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 177964 | 2544 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C | 10.1021/jm301653f | |||
| 3511 | 2544 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C | 10.1021/jm301653f | |||
| CHEMBL1778156 | 2544 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C | 10.1021/jm301653f | |||
| 16040587 | 179384 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm301653f | |||
| CHEMBL473921 | 179384 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm301653f | |||
| 44380970 | 120400 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 715 | 8 | 4 | 13 | 3.0 | CCC1OC(=O)C(C)C(OC2C[C@@](C)(OC)[C@@H](O)C(C)O2)C[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL353526 | 120400 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 715 | 8 | 4 | 13 | 3.0 | CCC1OC(=O)C(C)C(OC2C[C@@](C)(OC)[C@@H](O)C(C)O2)C[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/0960-894X(95)00122-A | |||
| 44276737 | 97378 | 0 | None | - | 0 | Rabbit | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 729 | 8 | 4 | 13 | 3.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL26966 | 97378 | 0 | None | - | 0 | Rabbit | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 729 | 8 | 4 | 13 | 3.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80359-0 | |||
| 44276737 | 97378 | 0 | None | - | 0 | Rabbit | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 729 | 8 | 4 | 13 | 3.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL26966 | 97378 | 0 | None | - | 0 | Rabbit | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 729 | 8 | 4 | 13 | 3.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80583-7 | |||
| 10897050 | 106687 | 0 | None | - | 0 | Rabbit | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 565 | 6 | 6 | 6 | 1.6 | CC(C)(C)c1cc(C[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL3143517 | 106687 | 0 | None | - | 0 | Rabbit | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 565 | 6 | 6 | 6 | 1.6 | CC(C)(C)c1cc(C[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)ccc1O | 10.1021/jm010332u | |||
| 11146277 | 106688 | 0 | None | - | 0 | Rabbit | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 579 | 6 | 6 | 6 | 2.0 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL3143518 | 106688 | 0 | None | - | 0 | Rabbit | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 579 | 6 | 6 | 6 | 2.0 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL2371264 | 210027 | 0 | None | - | 0 | Rabbit | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CNC2=O)ccc1O | 10.1021/jm010332u | |||||
| 44413071 | 78314 | 0 | None | - | 0 | Rabbit | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 731 | 12 | 1 | 7 | 7.3 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL210906 | 78314 | 0 | None | - | 0 | Rabbit | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 731 | 12 | 1 | 7 | 7.3 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44380971 | 57575 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 729 | 8 | 3 | 13 | 3.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL166642 | 57575 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 729 | 8 | 3 | 13 | 3.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| 44583348 | 187840 | 0 | None | - | 1 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 510 | 10 | 3 | 5 | 2.6 | CC(C)[C@@H](C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | |||
| CHEMBL496190 | 187840 | 0 | None | - | 1 | Rabbit | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 510 | 10 | 3 | 5 | 2.6 | CC(C)[C@@H](C(=O)N(C)[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O)N(C)C(=O)[C@@H](N)Cc1ccccc1 | 10.1016/j.bmcl.2009.05.059 | |||
| 44380610 | 96426 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 743 | 9 | 3 | 13 | 3.9 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL262052 | 96426 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 743 | 9 | 3 | 13 | 3.9 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| 11081770 | 89459 | 0 | None | - | 0 | Rabbit | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 509 | 6 | 6 | 6 | 0.3 | N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)CCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm010332u | |||
| CHEMBL2371260 | 89459 | 0 | None | - | 0 | Rabbit | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 509 | 6 | 6 | 6 | 0.3 | N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)CCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm010332u | |||
| 1048 | 1585 | 76 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| 12560 | 1585 | 76 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| 1456 | 1585 | 76 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL532 | 1585 | 76 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| DB00199 | 1585 | 76 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| 10897911 | 156277 | 0 | None | - | 0 | Rabbit | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL406517 | 156277 | 0 | None | - | 0 | Rabbit | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL496389 | 214081 | 0 | None | - | 1 | Rabbit | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O | 10.1016/j.bmcl.2009.05.059 | |||||
| 11135894 | 106692 | 0 | None | - | 0 | Rabbit | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 621 | 6 | 6 | 6 | 2.9 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc(C(C)(C)C)c1O | 10.1021/jm010332u | |||
| CHEMBL3143523 | 106692 | 0 | None | - | 0 | Rabbit | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 621 | 6 | 6 | 6 | 2.9 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc(C(C)(C)C)c1O | 10.1021/jm010332u | |||
| 10995344 | 106689 | 0 | None | - | 0 | Rabbit | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 5 | 6 | 1.8 | CCC(C)Oc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc1 | 10.1021/jm010332u | |||
| CHEMBL3143519 | 106689 | 0 | None | - | 0 | Rabbit | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 5 | 6 | 1.8 | CCC(C)Oc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc1 | 10.1021/jm010332u | |||
| 44412861 | 77874 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 673 | 11 | 0 | 4 | 7.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL209333 | 77874 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 673 | 11 | 0 | 4 | 7.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44412878 | 141082 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 707 | 11 | 0 | 4 | 8.6 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL382612 | 141082 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 707 | 11 | 0 | 4 | 8.6 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 11146277 | 106688 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 579 | 6 | 6 | 6 | 2.0 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL3143518 | 106688 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 579 | 6 | 6 | 6 | 2.0 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL502792 | 214158 | 0 | None | - | 1 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)(C)c1cc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2ccccc2)C(N)=O)ccc1O | 10.1016/j.bmcl.2009.05.059 | |||||
| 44276778 | 98206 | 0 | None | - | 0 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL27424 | 98206 | 0 | None | - | 0 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| 44276778 | 98206 | 0 | None | - | 0 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL27424 | 98206 | 0 | None | - | 0 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 44276779 | 96871 | 0 | None | - | 0 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 741 | 9 | 2 | 13 | 4.1 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL265495 | 96871 | 0 | None | - | 0 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 741 | 9 | 2 | 13 | 4.1 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| 44276779 | 96871 | 0 | None | - | 0 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 741 | 9 | 2 | 13 | 4.1 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL265495 | 96871 | 0 | None | - | 0 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 741 | 9 | 2 | 13 | 4.1 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 44380651 | 120132 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 757 | 9 | 3 | 13 | 4.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL351216 | 120132 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 757 | 9 | 3 | 13 | 4.3 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| 23557214 | 141083 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 721 | 11 | 0 | 4 | 8.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL382613 | 141083 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 721 | 11 | 0 | 4 | 8.9 | O=C(c1ccc(F)cc1)N(CC1CCCC(N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 11767227 | 106691 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 6 | 6 | 6 | 2.7 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCCCCNC2=O)ccc1O | 10.1021/jm010332u | |||
| CHEMBL3143521 | 106691 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 6 | 6 | 6 | 2.7 | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCCCCNC2=O)ccc1O | 10.1021/jm010332u | |||
| 44412941 | 140330 | 0 | None | - | 0 | Rabbit | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 710 | 13 | 1 | 6 | 8.0 | COc1cccc(C(=O)N(Cc2cccc(Cl)c2)C2CCCC(CN(C(=O)Nc3ccccc3)c3cccc(OCCN4CCOCC4)c3)C2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL380678 | 140330 | 0 | None | - | 0 | Rabbit | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 710 | 13 | 1 | 6 | 8.0 | COc1cccc(C(=O)N(Cc2cccc(Cl)c2)C2CCCC(CN(C(=O)Nc3ccccc3)c3cccc(OCCN4CCOCC4)c3)C2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44413072 | 78316 | 0 | None | - | 0 | Rabbit | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 636 | 12 | 1 | 6 | 6.9 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)c2ccco2)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL210923 | 78316 | 0 | None | - | 0 | Rabbit | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 636 | 12 | 1 | 6 | 6.9 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)c2ccco2)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL2371264 | 210027 | 0 | None | - | 0 | Rabbit | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CNC2=O)ccc1O | 10.1021/jm010332u | |||||
| 44380971 | 57575 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 729 | 8 | 3 | 13 | 3.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL166642 | 57575 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 729 | 8 | 3 | 13 | 3.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| 44276778 | 98206 | 0 | None | - | 0 | Rabbit | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL27424 | 98206 | 0 | None | - | 0 | Rabbit | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| 44276778 | 98206 | 0 | None | - | 0 | Rabbit | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL27424 | 98206 | 0 | None | - | 0 | Rabbit | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 755 | 9 | 2 | 13 | 4.5 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 1048 | 1585 | 76 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| 12560 | 1585 | 76 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| 1456 | 1585 | 76 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL532 | 1585 | 76 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| DB00199 | 1585 | 76 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1016/0960-894X(95)00122-A | |||
| 10897911 | 156277 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL406517 | 156277 | 0 | None | - | 0 | Rabbit | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O | 10.1016/S0960-894X(01)80359-0 | |||
| 12016400 | 168960 | 0 | None | - | 0 | Rabbit | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL438962 | 168960 | 0 | None | - | 0 | Rabbit | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 613 | 11 | 0 | 4 | 7.6 | CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44412951 | 78170 | 0 | None | - | 0 | Rabbit | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 674 | 14 | 1 | 5 | 7.7 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)CCc2ccccc2)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL210447 | 78170 | 0 | None | - | 0 | Rabbit | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 674 | 14 | 1 | 5 | 7.7 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)CCc2ccccc2)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| 10875453 | 106690 | 0 | None | - | 0 | Rabbit | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 565 | 7 | 5 | 6 | 1.8 | CC(C)(C)Oc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc1 | 10.1021/jm010332u | |||
| CHEMBL3143520 | 106690 | 0 | None | - | 0 | Rabbit | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 565 | 7 | 5 | 6 | 1.8 | CC(C)(C)Oc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc1 | 10.1021/jm010332u | |||
| 44412982 | 59060 | 0 | None | - | 0 | Rabbit | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 644 | 11 | 1 | 5 | 7.2 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)Nc2ccc(F)cc2)c2cccc(OCCN3CCOCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL169509 | 59060 | 0 | None | - | 0 | Rabbit | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 644 | 11 | 1 | 5 | 7.2 | CC(C)(C)C(=O)N(Cc1ccccc1)C1CCCC(CN(C(=O)Nc2ccc(F)cc2)c2cccc(OCCN3CCOCC3)c2)C1 | 10.1016/j.bmcl.2006.04.017 | |||
| 44380610 | 96426 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 743 | 9 | 3 | 13 | 3.9 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| CHEMBL262052 | 96426 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 743 | 9 | 3 | 13 | 3.9 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC | 10.1016/0960-894X(95)00122-A | |||
| 44276817 | 98202 | 0 | None | - | 0 | Rabbit | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 727 | 8 | 2 | 13 | 3.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL27419 | 98202 | 0 | None | - | 0 | Rabbit | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 727 | 8 | 2 | 13 | 3.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| 44276817 | 98202 | 0 | None | - | 0 | Rabbit | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 727 | 8 | 2 | 13 | 3.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL27419 | 98202 | 0 | None | - | 0 | Rabbit | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 727 | 8 | 2 | 13 | 3.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 44276817 | 98202 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 727 | 8 | 2 | 13 | 3.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| CHEMBL27419 | 98202 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 727 | 8 | 2 | 13 | 3.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80359-0 | |||
| 44276817 | 98202 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 727 | 8 | 2 | 13 | 3.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| CHEMBL27419 | 98202 | 0 | None | - | 0 | Rabbit | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 727 | 8 | 2 | 13 | 3.8 | CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC | 10.1016/S0960-894X(01)80583-7 | |||
| 44412977 | 79814 | 0 | None | - | 0 | Rabbit | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 686 | 11 | 1 | 5 | 7.4 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL212044 | 79814 | 0 | None | - | 0 | Rabbit | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 686 | 11 | 1 | 5 | 7.4 | O=C(Nc1ccccc1)N(CC1CCCC(N(Cc2ccccc2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCOCC2)c1 | 10.1016/j.bmcl.2006.04.017 | |||
| CHEMBL2372767 | 210285 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O | 10.1021/jm0606600 | |||||
| 10010118 | 101435 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| CHEMBL297494 | 101435 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| 10010118 | 101435 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| CHEMBL297494 | 101435 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| 25115428 | 160763 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 5 | 6 | 7 | 1.0 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN/C(N)=N/C#N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL411408 | 160763 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 5 | 6 | 7 | 1.0 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN/C(N)=N/C#N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11444593 | 172726 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 578 | 5 | 4 | 6 | 4.0 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2csc3ccccc23)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL450634 | 172726 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 578 | 5 | 4 | 6 | 4.0 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2csc3ccccc23)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 44432981 | 87973 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 595 | 5 | 4 | 7 | 2.8 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cc2cscn2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL234191 | 87973 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 595 | 5 | 4 | 7 | 2.8 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cc2cscn2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11995356 | 80553 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 488 | 5 | 5 | 5 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCCCCCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL214869 | 80553 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 488 | 5 | 5 | 5 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCCCCCCNC1=O | 10.1021/jm0606600 | |||
| 11994554 | 80572 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| CHEMBL214935 | 80572 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| 11994554 | 80572 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL214935 | 80572 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11994677 | 141899 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 508 | 3 | 5 | 6 | 1.8 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](C)NC1=O | 10.1021/jm0606600 | |||
| CHEMBL386854 | 141899 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 508 | 3 | 5 | 6 | 1.8 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](C)NC1=O | 10.1021/jm0606600 | |||
| 11995358 | 80600 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 536 | 6 | 4 | 5 | 3.1 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCc2ccccc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL215043 | 80600 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 536 | 6 | 4 | 5 | 3.1 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCc2ccccc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 44432973 | 98312 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 577 | 4 | 5 | 6 | 1.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL274876 | 98312 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 577 | 4 | 5 | 6 | 1.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11995155 | 141908 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 584 | 6 | 5 | 6 | 3.1 | CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| CHEMBL386906 | 141908 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 584 | 6 | 5 | 6 | 3.1 | CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| 11410548 | 87565 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 571 | 5 | 4 | 6 | 2.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL233561 | 87565 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 571 | 5 | 4 | 6 | 2.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 25115652 | 97286 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 643 | 5 | 4 | 8 | 2.6 | Cc1cnnn1C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL269007 | 97286 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 643 | 5 | 4 | 8 | 2.6 | Cc1cnnn1C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 44432969 | 147603 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 4 | 6 | 7 | 0.6 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL393112 | 147603 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 525 | 4 | 6 | 7 | 0.6 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 25114977 | 147009 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 594 | 5 | 4 | 7 | 2.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2cccn2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL392657 | 147009 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 594 | 5 | 4 | 7 | 2.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2cccn2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11994680 | 168765 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 584 | 5 | 5 | 6 | 3.0 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0606600 | |||
| CHEMBL437326 | 168765 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 584 | 5 | 5 | 6 | 3.0 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0606600 | |||
| 11995359 | 168966 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 539 | 5 | 4 | 7 | 2.9 | CCC[C@@H]1OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL438998 | 168966 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 539 | 5 | 4 | 7 | 2.9 | CCC[C@@H]1OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 44467360 | 124535 | 0 | None | -3 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 420 | 3 | 2 | 6 | 1.5 | COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F | 10.1021/acs.jmedchem.5b01995 | |||
| CHEMBL3640290 | 124535 | 0 | None | -3 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 420 | 3 | 2 | 6 | 1.5 | COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F | 10.1021/acs.jmedchem.5b01995 | |||
| 11994928 | 141869 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 539 | 5 | 4 | 7 | 2.9 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL386626 | 141869 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 539 | 5 | 4 | 7 | 2.9 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 44432971 | 87038 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 567 | 5 | 6 | 7 | 0.8 | CC(=O)NC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL232551 | 87038 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 567 | 5 | 6 | 7 | 0.8 | CC(=O)NC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11995153 | 141635 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 508 | 4 | 5 | 6 | 1.9 | CCC[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| CHEMBL385293 | 141635 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 508 | 4 | 5 | 6 | 1.9 | CCC[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| 11181688 | 101335 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 721 | 13 | 4 | 11 | 1.5 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| CHEMBL296748 | 101335 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 721 | 13 | 4 | 11 | 1.5 | NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| 71720372 | 89053 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 570 | 13 | 4 | 6 | 3.3 | CCNC(=O)[C@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccc(F)cc1)NC | 10.1021/jm301653f | |||
| CHEMBL2313632 | 89053 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 570 | 13 | 4 | 6 | 3.3 | CCNC(=O)[C@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccc(F)cc1)NC | 10.1021/jm301653f | |||
| CHEMBL2364821 | 89053 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 570 | 13 | 4 | 6 | 3.3 | CCNC(=O)[C@H](Cc1ccc(O)c(C(C)(C)C)c1)C(N)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccc(F)cc1)NC | 10.1021/jm301653f | |||
| 44292517 | 101531 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| CHEMBL298224 | 101531 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 723 | 13 | 4 | 11 | 1.7 | NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| 25115429 | 86700 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 655 | 6 | 5 | 8 | 2.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNc2ncccn2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL231744 | 86700 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 655 | 6 | 5 | 8 | 2.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNc2ncccn2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 25115653 | 147007 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 644 | 5 | 4 | 9 | 2.0 | Cc1nnnn1C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL392656 | 147007 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 644 | 5 | 4 | 9 | 2.0 | Cc1nnnn1C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11250008 | 80413 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 566 | 5 | 4 | 6 | 3.0 | CC(C)C[C@H]1C(=O)NCCCc2ccccc2OCCN[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(C)C)C(=O)N1C | 10.1021/jm0606600 | |||
| CHEMBL214570 | 80413 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 566 | 5 | 4 | 6 | 3.0 | CC(C)C[C@H]1C(=O)NCCCc2ccccc2OCCN[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(C)C)C(=O)N1C | 10.1021/jm0606600 | |||
| 25115654 | 160004 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 657 | 5 | 4 | 8 | 2.9 | Cc1nnn(C[C@@H]2NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)NCCOc3ccccc3CCCNC2=O)c1C | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL410786 | 160004 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 657 | 5 | 4 | 8 | 2.9 | Cc1nnn(C[C@@H]2NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)NCCOc3ccccc3CCCNC2=O)c1C | 10.1016/j.bmcl.2007.05.043 | |||
| 11995042 | 141887 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 553 | 5 | 6 | 7 | 2.0 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NNC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL386735 | 141887 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 553 | 5 | 6 | 7 | 2.0 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NNC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 11192254 | 141709 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 561 | 5 | 5 | 5 | 3.2 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL385673 | 141709 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 561 | 5 | 5 | 5 | 3.2 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 11995157 | 169324 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 552 | 5 | 6 | 7 | 1.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/jm0606600 | |||
| CHEMBL441697 | 169324 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 552 | 5 | 6 | 7 | 1.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/jm0606600 | |||
| 11995157 | 169324 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 552 | 5 | 6 | 7 | 1.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CC(=O)O)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL441697 | 169324 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 552 | 5 | 6 | 7 | 1.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CC(=O)O)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 25115200 | 88245 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 584 | 6 | 6 | 6 | 2.3 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CCC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL234810 | 88245 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 584 | 6 | 6 | 6 | 2.3 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CCC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 44432976 | 154864 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 5 | 4 | 6 | 2.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL400635 | 154864 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 5 | 4 | 6 | 2.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11995454 | 141774 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 552 | 5 | 4 | 6 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)CCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL386086 | 141774 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 552 | 5 | 4 | 6 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)CCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL2372767 | 210285 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O | 10.1021/jm0304865 | |||||
| 53322109 | 56269 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1021/jm0304865 | |||
| CHEMBL1628277 | 56269 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 697 | 8 | 2 | 11 | 5.2 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C | 10.1021/jm0304865 | |||
| 44432974 | 87564 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 5 | 5 | 6 | 1.8 | CNC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL233560 | 87564 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 557 | 5 | 5 | 6 | 1.8 | CNC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11995041 | 80482 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 524 | 5 | 5 | 6 | 2.9 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL214685 | 80482 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 524 | 5 | 5 | 6 | 2.9 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 11995357 | 141451 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 528 | 5 | 4 | 5 | 3.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC2CCCCC2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL384204 | 141451 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 528 | 5 | 4 | 5 | 3.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC2CCCCC2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 25114744 | 160765 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 599 | 6 | 7 | 6 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CCNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL411409 | 160765 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 599 | 6 | 7 | 6 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CCNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11994678 | 141388 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| CHEMBL383881 | 141388 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 536 | 5 | 5 | 6 | 2.5 | CCC[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| 44432968 | 86949 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 539 | 5 | 6 | 7 | 1.0 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CCN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL232342 | 86949 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 539 | 5 | 6 | 7 | 1.0 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CCN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11994556 | 80489 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 472 | 4 | 4 | 5 | 2.2 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| CHEMBL214703 | 80489 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 472 | 4 | 4 | 5 | 2.2 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| 1048 | 1585 | 76 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | |||
| 12560 | 1585 | 76 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | |||
| 1456 | 1585 | 76 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | |||
| CHEMBL532 | 1585 | 76 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | |||
| DB00199 | 1585 | 76 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | 10.1021/jm0304865 | |||
| 44432970 | 87037 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 567 | 6 | 6 | 7 | 1.7 | CC(C)NC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL232550 | 87037 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 567 | 6 | 6 | 7 | 1.7 | CC(C)NC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 23656869 | 147856 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 631 | 5 | 4 | 6 | 3.1 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN2CCCC2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL393315 | 147856 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 631 | 5 | 4 | 6 | 3.1 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN2CCCC2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 44432979 | 148517 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 626 | 6 | 5 | 8 | 3.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNc2nccs2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL393842 | 148517 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 626 | 6 | 5 | 8 | 3.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNc2nccs2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11398860 | 176045 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 560 | 8 | 3 | 10 | 0.4 | NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| CHEMBL45905 | 176045 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 560 | 8 | 3 | 10 | 0.4 | NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| 11995154 | 81088 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 566 | 7 | 6 | 7 | 1.7 | CCC[C@@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| CHEMBL215532 | 81088 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 566 | 7 | 6 | 7 | 1.7 | CCC[C@@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| 25115201 | 158774 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 611 | 5 | 6 | 8 | 1.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC2=NCCN2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL409410 | 158774 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 611 | 5 | 6 | 8 | 1.2 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC2=NCCN2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 44432978 | 86974 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 5 | 6 | 6 | 1.3 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(N)=O)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL232359 | 86974 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 5 | 6 | 6 | 1.3 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(N)=O)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11226476 | 81175 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 538 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL215825 | 81175 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 538 | 5 | 5 | 6 | 2.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 11994925 | 81065 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 522 | 5 | 4 | 5 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL215440 | 81065 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 522 | 5 | 4 | 5 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 44432980 | 146896 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 585 | 5 | 7 | 6 | 1.1 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL392553 | 146896 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 585 | 5 | 7 | 6 | 1.1 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11398860 | 176045 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 560 | 8 | 3 | 10 | 0.4 | NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| CHEMBL45905 | 176045 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 560 | 8 | 3 | 10 | 0.4 | NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)n21 | 10.1021/jm0304865 | |||
| 11204067 | 86785 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 585 | 5 | 7 | 6 | 1.1 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL232154 | 86785 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 585 | 5 | 7 | 6 | 1.1 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 44432975 | 87740 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 591 | 5 | 5 | 6 | 2.2 | CNC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL233711 | 87740 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 591 | 5 | 5 | 6 | 2.2 | CNC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 44432977 | 151680 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 5 | 7 | 6 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL396413 | 151680 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 5 | 7 | 6 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(=N)N)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11168753 | 144951 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 543 | 4 | 5 | 6 | 1.6 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL391045 | 144951 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 543 | 4 | 5 | 6 | 1.6 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11994802 | 81457 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 536 | 5 | 5 | 5 | 3.0 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCCc2ccccc2CCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL215963 | 81457 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 536 | 5 | 5 | 5 | 3.0 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCCc2ccccc2CCNC1=O | 10.1021/jm0606600 | |||
| 11994800 | 141792 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 536 | 5 | 5 | 5 | 3.0 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2CCCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL386187 | 141792 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 536 | 5 | 5 | 5 | 3.0 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2CCCCNC1=O | 10.1021/jm0606600 | |||
| 11180385 | 81416 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 550 | 5 | 5 | 6 | 2.8 | CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| CHEMBL215946 | 81416 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 550 | 5 | 5 | 6 | 2.8 | CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| 25114976 | 148013 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 594 | 5 | 4 | 7 | 2.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2ccnc2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL393439 | 148013 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 594 | 5 | 4 | 7 | 2.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2ccnc2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 44417633 | 141449 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 580 | 5 | 4 | 6 | 2.7 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C(C)=O)CCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL384188 | 141449 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 580 | 5 | 4 | 6 | 2.7 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C(C)=O)CCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 11398651 | 148130 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 543 | 4 | 5 | 6 | 1.6 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL393541 | 148130 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 543 | 4 | 5 | 6 | 1.6 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11995156 | 141764 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 524 | 4 | 6 | 7 | 0.7 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CO)NC1=O | 10.1021/jm0606600 | |||
| CHEMBL386036 | 141764 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 524 | 4 | 6 | 7 | 0.7 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CO)NC1=O | 10.1021/jm0606600 | |||
| 11994679 | 80394 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 565 | 7 | 6 | 7 | 1.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0606600 | |||
| CHEMBL214508 | 80394 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 565 | 7 | 6 | 7 | 1.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0606600 | |||
| 11994679 | 80394 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 565 | 7 | 6 | 7 | 1.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL214508 | 80394 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 565 | 7 | 6 | 7 | 1.9 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11994924 | 80410 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 444 | 5 | 5 | 5 | 1.4 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC/C=C/CCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL214555 | 80410 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 444 | 5 | 5 | 5 | 1.4 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC/C=C/CCNC1=O | 10.1021/jm0606600 | |||
| 44417743 | 166107 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 548 | 5 | 5 | 5 | 3.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCc2ccccc2/C=C\CCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL425988 | 166107 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 548 | 5 | 5 | 5 | 3.5 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCCc2ccccc2/C=C\CCNC1=O | 10.1021/jm0606600 | |||
| 11203197 | 80593 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 520 | 5 | 4 | 5 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| CHEMBL215016 | 80593 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 520 | 5 | 4 | 5 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NCCOc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| 11994927 | 81764 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 572 | 5 | 4 | 5 | 3.9 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL216400 | 81764 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 572 | 5 | 4 | 5 | 3.9 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 11341873 | 141504 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 552 | 6 | 4 | 6 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL384501 | 141504 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 552 | 6 | 4 | 6 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 11433096 | 141603 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 572 | 5 | 4 | 5 | 3.9 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL385087 | 141603 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 572 | 5 | 4 | 5 | 3.9 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC1=O | 10.1021/jm0606600 | |||
| 25115427 | 98658 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 625 | 5 | 6 | 8 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC2=NCCCN2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL277329 | 98658 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 625 | 5 | 6 | 8 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC2=NCCCN2)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 44432967 | 145571 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 551 | 6 | 6 | 7 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CCCN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| CHEMBL391524 | 145571 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 551 | 6 | 6 | 7 | 1.5 | CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC(=O)[C@H](CCCN)NC1=O | 10.1016/j.bmcl.2007.05.043 | |||
| 11995259 | 80768 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 520 | 5 | 5 | 5 | 2.7 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| CHEMBL215177 | 80768 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 520 | 5 | 5 | 5 | 2.7 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCc2ccccc2/C=C/CNC1=O | 10.1021/jm0606600 | |||
| 11995261 | 80766 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 5 | 5 | 6 | 2.1 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCNC1=O | 10.1021/jm0606600 | |||
| CHEMBL215169 | 80766 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 524 | 5 | 5 | 6 | 2.1 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCNC1=O | 10.1021/jm0606600 | |||
| 101635584 | 2596 | 31 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 10381885 | |||||
| 1458 | 2596 | 31 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 10381885 | |||||
| 16136567 | 2596 | 31 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 10381885 | |||||
| 3794 | 2596 | 31 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 10381885 | |||||
| 91898963 | 2596 | 31 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 10381885 | |||||
| CHEMBL525634 | 2596 | 31 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 10381885 | |||||
| 1048 | 1585 | 76 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | None | |||
| 12560 | 1585 | 76 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | None | |||
| 1456 | 1585 | 76 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | None | |||
| CHEMBL532 | 1585 | 76 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | None | |||
| DB00199 | 1585 | 76 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 733 | 7 | 5 | 14 | 1.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O | None | |||
| 2139 | 3855 | 56 | None | 1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 2316 | 3855 | 56 | None | 1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 3836 | 3855 | 56 | None | 1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 638678 | 3855 | 56 | None | 1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL1472 | 3855 | 56 | None | 1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| DB09421 | 3855 | 56 | None | 1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 101635584 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11461914 | |||||
| 101635584 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11781320 | |||||
| 101635584 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 15677347 | |||||
| 101635584 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16531413 | |||||
| 1458 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11461914 | |||||
| 1458 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11781320 | |||||
| 1458 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 15677347 | |||||
| 1458 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16531413 | |||||
| 16136567 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11461914 | |||||
| 16136567 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11781320 | |||||
| 16136567 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 15677347 | |||||
| 16136567 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16531413 | |||||
| 3794 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11461914 | |||||
| 3794 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11781320 | |||||
| 3794 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 15677347 | |||||
| 3794 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16531413 | |||||
| 91898963 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11461914 | |||||
| 91898963 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11781320 | |||||
| 91898963 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 15677347 | |||||
| 91898963 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16531413 | |||||
| CHEMBL525634 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11461914 | |||||
| CHEMBL525634 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 11781320 | |||||
| CHEMBL525634 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 15677347 | |||||
| CHEMBL525634 | 2596 | 31 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 16531413 | |||||
| 1450 | 3625 | 0 | None | - | 1 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 15677347 | |||||
| 1451 | 3628 | 0 | None | - | 1 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 15677347 | |||||
| 1452 | 709 | 0 | None | - | 1 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11461914 | |||||