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 |
| CHEMBL1824052 | 209036 | 0 | None | 3 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL1824051 | 209035 | 0 | None | 3 | 5 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 90644981 | 111813 | 0 | None | 6 | 2 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287613 | 111813 | 0 | None | 6 | 2 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 127030549 | 138522 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 476 | 4 | 3 | 7 | 4.2 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775042 | 138522 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 476 | 4 | 3 | 7 | 4.2 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| 90644992 | 111826 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 426 | 5 | 2 | 2 | 6.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 | 10.1021/ml500079u | ||
| CHEMBL3287628 | 111826 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 426 | 5 | 2 | 2 | 6.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 | 10.1021/ml500079u | ||
| CHEMBL1824056 | 209040 | 0 | None | 3 | 5 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL1823873 | 209032 | 9 | None | -1 | 5 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 16129706 | 209031 | 40 | None | -16 | 11 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL1823872 | 209031 | 40 | None | -16 | 11 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL1824050 | 209034 | 0 | None | 3 | 5 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 10114 | 2556 | 23 | None | -1 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1016/j.bmcl.2016.02.022 | ||
| 56927659 | 2556 | 23 | None | -1 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL2204935 | 2556 | 23 | None | -1 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1016/j.bmcl.2016.02.022 | ||
| 90644993 | 111827 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 444 | 5 | 2 | 2 | 6.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2cc(F)ccc2c1 | 10.1021/ml500079u | ||
| CHEMBL3287629 | 111827 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 444 | 5 | 2 | 2 | 6.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2cc(F)ccc2c1 | 10.1021/ml500079u | ||
| 139392666 | 190202 | 0 | None | -41 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 430 | 3 | 2 | 5 | 4.3 | Cc1ccc(F)c2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12 | 10.1016/j.bmcl.2022.128807 | ||
| CHEMBL5174433 | 190202 | 0 | None | -41 | 5 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 430 | 3 | 2 | 5 | 4.3 | Cc1ccc(F)c2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12 | 10.1016/j.bmcl.2022.128807 | ||
| 127032341 | 138626 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 378 | 2 | 3 | 3 | 4.5 | CC(C)(C)c1c[nH]c(C2Cc3c([nH]c4ccccc34)C(C3CCOCC3)N2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775825 | 138626 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 378 | 2 | 3 | 3 | 4.5 | CC(C)(C)c1c[nH]c(C2Cc3c([nH]c4ccccc34)C(C3CCOCC3)N2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186639 | 122881 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 6 | 2 | 2 | 5.0 | Cc1ccc(-c2c[nH]c(C3(NCCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605797 | 122881 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 345 | 6 | 2 | 2 | 5.0 | Cc1ccc(-c2c[nH]c(C3(NCCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 90644990 | 111822 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 320 | 5 | 2 | 2 | 3.9 | CC(C)(C)CCN[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287622 | 111822 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 320 | 5 | 2 | 2 | 3.9 | CC(C)(C)CCN[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 122186627 | 122869 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 370 | 5 | 3 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605785 | 122869 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 370 | 5 | 3 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 127032662 | 138555 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 454 | 3 | 3 | 4 | 6.1 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2csc4ccccc24)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775284 | 138555 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 454 | 3 | 3 | 4 | 6.1 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2csc4ccccc24)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186634 | 122876 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 384 | 6 | 3 | 2 | 5.5 | Cc1ccc(-c2c[nH]c(C3(NCCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605792 | 122876 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 384 | 6 | 3 | 2 | 5.5 | Cc1ccc(-c2c[nH]c(C3(NCCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 127031456 | 138483 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 412 | 3 | 3 | 3 | 5.2 | Cc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3774791 | 138483 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 412 | 3 | 3 | 3 | 5.2 | Cc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186655 | 122897 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 339 | 5 | 2 | 3 | 4.2 | Cc1ccc(-c2c[nH]c(C3(NCC4CCOCC4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605813 | 122897 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 339 | 5 | 2 | 3 | 4.2 | Cc1ccc(-c2c[nH]c(C3(NCC4CCOCC4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 90644983 | 111815 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 340 | 5 | 2 | 2 | 4.0 | Cc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287615 | 111815 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 340 | 5 | 2 | 2 | 4.0 | Cc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | ||
| 90644985 | 111817 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 356 | 6 | 2 | 3 | 3.7 | COc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287617 | 111817 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 356 | 6 | 2 | 3 | 3.7 | COc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | ||
| 90644998 | 111839 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 379 | 5 | 2 | 2 | 4.5 | CN(Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287643 | 111839 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 379 | 5 | 2 | 2 | 4.5 | CN(Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 90644997 | 111834 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 369 | 5 | 3 | 2 | 3.9 | O=C(N[C@@H]1CCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 | 10.1021/ml500079u | ||
| CHEMBL3287635 | 111834 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 369 | 5 | 3 | 2 | 3.9 | O=C(N[C@@H]1CCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 | 10.1021/ml500079u | ||
| 127032661 | 138525 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 418 | 3 | 3 | 4 | 5.3 | Cc1csc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775055 | 138525 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 418 | 3 | 3 | 4 | 5.3 | Cc1csc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186653 | 122895 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc5ncccc5c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605811 | 122895 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc5ncccc5c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186637 | 122879 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 370 | 5 | 3 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4cc5ccccc5[nH]4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605795 | 122879 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 370 | 5 | 3 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4cc5ccccc5[nH]4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL1824049 | 209033 | 0 | None | 1 | 5 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 127033870 | 138533 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 430 | 3 | 2 | 4 | 5.1 | Cn1c2c(c3ccccc31)C[C@H](c1nc(-c3ccc(F)cc3)c[nH]1)N[C@@H]2C1CCOCC1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775120 | 138533 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 430 | 3 | 2 | 4 | 5.1 | Cn1c2c(c3ccccc31)C[C@H](c1nc(-c3ccc(F)cc3)c[nH]1)N[C@@H]2C1CCOCC1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127030226 | 138621 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 466 | 3 | 3 | 3 | 5.9 | FC(F)(F)c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775793 | 138621 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 466 | 3 | 3 | 3 | 5.9 | FC(F)(F)c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 90644988 | 111820 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 370 | 6 | 3 | 3 | 3.4 | O=C(O)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287620 | 111820 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 370 | 6 | 3 | 3 | 3.4 | O=C(O)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | ||
| 122186626 | 122868 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 356 | 5 | 3 | 2 | 5.0 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605784 | 122868 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 356 | 5 | 3 | 2 | 5.0 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186643 | 122885 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 337 | 5 | 2 | 2 | 4.7 | Cc1ccc(-c2c[nH]c(C3(NCCC(F)(F)F)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605801 | 122885 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 337 | 5 | 2 | 2 | 4.7 | Cc1ccc(-c2c[nH]c(C3(NCCC(F)(F)F)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL1824057 | 209041 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| 127030229 | 138518 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 428 | 4 | 3 | 4 | 4.9 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775031 | 138518 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 428 | 4 | 3 | 4 | 4.9 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127033002 | 138537 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 507 | 5 | 3 | 9 | 3.6 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@](c4cnn(C)c4)(c4noc(C)n4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775160 | 138537 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 507 | 5 | 3 | 9 | 3.6 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@](c4cnn(C)c4)(c4noc(C)n4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127034125 | 138612 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 412 | 3 | 3 | 3 | 5.1 | CC1(c2nc(-c3ccccc3)c[nH]2)Cc2c([nH]c3ccccc23)C(C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775729 | 138612 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 412 | 3 | 3 | 3 | 5.1 | CC1(c2nc(-c3ccccc3)c[nH]2)Cc2c([nH]c3ccccc23)C(C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186645 | 122887 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 365 | 5 | 2 | 2 | 5.6 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(Cl)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605803 | 122887 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 365 | 5 | 2 | 2 | 5.6 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(Cl)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 127030228 | 138554 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 428 | 4 | 3 | 4 | 4.9 | COc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775282 | 138554 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 428 | 4 | 3 | 4 | 4.9 | COc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127033551 | 138573 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775418 | 138573 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127030548 | 138502 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 433 | 3 | 3 | 4 | 5.0 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3774909 | 138502 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 433 | 3 | 3 | 4 | 5.0 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122179457 | 121454 | 0 | None | 794 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3582317 | 121454 | 0 | None | 794 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| 90644981 | 111813 | 0 | None | -6 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287613 | 111813 | 0 | None | -6 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 122186630 | 122872 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 356 | 5 | 3 | 2 | 5.1 | c1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605788 | 122872 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 356 | 5 | 3 | 2 | 5.1 | c1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186635 | 122877 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 371 | 5 | 3 | 3 | 4.8 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5cccnc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605793 | 122877 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 371 | 5 | 3 | 3 | 4.8 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5cccnc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 90644978 | 111843 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.6 | O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12 | 10.1021/ml500079u | ||
| CHEMBL3287649 | 111843 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.6 | O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12 | 10.1021/ml500079u | ||
| 127033874 | 138600 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 417 | 3 | 3 | 4 | 4.4 | Fc1ccc(-c2n[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775625 | 138600 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 417 | 3 | 3 | 4 | 4.4 | Fc1ccc(-c2n[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127032660 | 138575 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 438 | 3 | 3 | 4 | 5.6 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)s1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775435 | 138575 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 438 | 3 | 3 | 4 | 5.6 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)s1 | 10.1016/j.bmcl.2016.02.022 | ||
| 90644984 | 111816 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 344 | 5 | 2 | 2 | 3.8 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287616 | 111816 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 344 | 5 | 2 | 2 | 3.8 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 90644995 | 111830 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 426 | 5 | 2 | 2 | 6.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 | 10.1021/ml500079u | ||
| CHEMBL3287631 | 111830 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 426 | 5 | 2 | 2 | 6.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 | 10.1021/ml500079u | ||
| 57384077 | 76847 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL2069502 | 76847 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186652 | 122894 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 407 | 6 | 2 | 2 | 6.6 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(-c5ccccc5)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605810 | 122894 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 407 | 6 | 2 | 2 | 6.6 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(-c5ccccc5)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186629 | 122871 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 385 | 5 | 4 | 3 | 4.2 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCNCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605787 | 122871 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 385 | 5 | 4 | 3 | 4.2 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCNCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 90644987 | 111819 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 397 | 8 | 2 | 3 | 4.5 | CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287619 | 111819 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 397 | 8 | 2 | 3 | 4.5 | CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | ||
| 90644994 | 111829 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 427 | 5 | 2 | 3 | 5.4 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 | 10.1021/ml500079u | ||
| CHEMBL3287630 | 111829 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 427 | 5 | 2 | 3 | 5.4 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 | 10.1021/ml500079u | ||
| 122186647 | 122889 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 349 | 5 | 2 | 2 | 5.1 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(F)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605805 | 122889 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 349 | 5 | 2 | 2 | 5.1 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(F)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 127030227 | 138568 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 414 | 3 | 4 | 4 | 4.6 | Oc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775398 | 138568 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 414 | 3 | 4 | 4 | 4.6 | Oc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186632 | 122874 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 6 | 3 | 2 | 6.8 | c1ccc(-c2ccc(-c3c[nH]c(C4(NCc5c[nH]c6ccccc56)CCCC4)n3)cc2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605790 | 122874 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 6 | 3 | 2 | 6.8 | c1ccc(-c2ccc(-c3c[nH]c(C4(NCc5c[nH]c6ccccc56)CCCC4)n3)cc2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 90644977 | 111842 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 410 | 5 | 2 | 3 | 5.8 | O=C(Nc1ccc(F)cc1)O[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 | 10.1021/ml500079u | ||
| CHEMBL3287648 | 111842 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 410 | 5 | 2 | 3 | 5.8 | O=C(Nc1ccc(F)cc1)O[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 | 10.1021/ml500079u | ||
| CHEMBL1824058 | 209042 | 0 | None | 3 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| 127031432 | 138566 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 429 | 4 | 3 | 5 | 4.3 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775387 | 138566 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 429 | 4 | 3 | 5 | 4.3 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127030550 | 138601 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 476 | 4 | 3 | 7 | 4.2 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775630 | 138601 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 476 | 4 | 3 | 7 | 4.2 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL452157 | 213976 | 0 | None | -3 | 5 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| 90644996 | 111831 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287632 | 111831 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 127031155 | 138448 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccccc1-c1c[nH]c([C@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCOCC3)N2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3774495 | 138448 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccccc1-c1c[nH]c([C@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCOCC3)N2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL1824053 | 209037 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 90644999 | 111845 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287651 | 111845 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 122186654 | 122896 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 337 | 5 | 2 | 2 | 5.3 | Cc1ccc(-c2c[nH]c(C3(NCC4CCCCC4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605812 | 122896 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 337 | 5 | 2 | 2 | 5.3 | Cc1ccc(-c2c[nH]c(C3(NCC4CCCCC4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 90644979 | 111844 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.6 | O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12 | 10.1021/ml500079u | ||
| CHEMBL3287650 | 111844 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 365 | 5 | 3 | 2 | 4.6 | O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12 | 10.1021/ml500079u | ||
| 122186642 | 122884 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 325 | 5 | 2 | 2 | 5.2 | Cc1ccc(-c2c[nH]c(C3(NCCC(C)(C)C)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605800 | 122884 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 325 | 5 | 2 | 2 | 5.2 | Cc1ccc(-c2c[nH]c(C3(NCCC(C)(C)C)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 90644986 | 111818 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 342 | 5 | 3 | 3 | 3.4 | O=C(N[C@@H]1CCCC[C@@H]1NCc1cccc(O)c1)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287618 | 111818 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 342 | 5 | 3 | 3 | 3.4 | O=C(N[C@@H]1CCCC[C@@H]1NCc1cccc(O)c1)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 127030231 | 138523 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 434 | 3 | 3 | 3 | 5.2 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c(F)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775050 | 138523 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 434 | 3 | 3 | 3 | 5.2 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c(F)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186646 | 122888 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 399 | 5 | 2 | 2 | 6.0 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(C(F)(F)F)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605804 | 122888 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 399 | 5 | 2 | 2 | 6.0 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(C(F)(F)F)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186656 | 122898 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 335 | 5 | 2 | 4 | 3.7 | Cc1ccc(-c2c[nH]c(C3(NCc4cnn(C)c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605814 | 122898 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 335 | 5 | 2 | 4 | 3.7 | Cc1ccc(-c2c[nH]c(C3(NCc4cnn(C)c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186636 | 122878 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 400 | 6 | 3 | 3 | 5.4 | COc1cccc2c(CNC3(c4nc(-c5ccc(C)cc5)c[nH]4)CCCC3)c[nH]c12 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605794 | 122878 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 400 | 6 | 3 | 3 | 5.4 | COc1cccc2c(CNC3(c4nc(-c5ccc(C)cc5)c[nH]4)CCCC3)c[nH]c12 | 10.1016/j.bmcl.2015.06.087 | ||
| 139392804 | 191603 | 1 | None | -104 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 412 | 3 | 2 | 5 | 4.1 | Cc1cccc2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12 | 10.1016/j.bmcl.2022.128807 | ||
| CHEMBL5195355 | 191603 | 1 | None | -104 | 5 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 412 | 3 | 2 | 5 | 4.1 | Cc1cccc2[nH]c(-c3cncc(-c4cc(F)cc(C#N)c4)c3N3CC[C@H](N)C3)nc12 | 10.1016/j.bmcl.2022.128807 | ||
| 122186624 | 122866 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 344 | 5 | 3 | 2 | 4.9 | Cc1ccc(-c2c[nH]c(C(C)(C)NCc3c[nH]c4ccccc34)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605782 | 122866 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 344 | 5 | 3 | 2 | 4.9 | Cc1ccc(-c2c[nH]c(C(C)(C)NCc3c[nH]c4ccccc34)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 90644991 | 111825 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 412 | 5 | 2 | 2 | 5.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 | 10.1021/ml500079u | ||
| CHEMBL3287627 | 111825 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 412 | 5 | 2 | 2 | 5.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 | 10.1021/ml500079u | ||
| CHEMBL1824055 | 209039 | 0 | None | -10 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| 127034429 | 138473 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 507 | 5 | 3 | 9 | 3.6 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@](c4cnn(C)c4)(c4noc(C)n4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3774684 | 138473 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 507 | 5 | 3 | 9 | 3.6 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@](c4cnn(C)c4)(c4noc(C)n4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127033873 | 138521 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2nc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)c[nH]2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775037 | 138521 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2nc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)c[nH]2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL1824054 | 209038 | 0 | None | 4 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 122186649 | 122891 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 332 | 5 | 2 | 3 | 4.3 | Cc1ccc(-c2c[nH]c(C3(NCc4ccncc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605807 | 122891 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 332 | 5 | 2 | 3 | 4.3 | Cc1ccc(-c2c[nH]c(C3(NCc4ccncc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186657 | 122899 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 349 | 6 | 2 | 4 | 4.2 | CCn1cncc1CNC1(c2nc(-c3ccc(C)cc3)c[nH]2)CCCC1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605815 | 122899 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 349 | 6 | 2 | 4 | 4.2 | CCn1cncc1CNC1(c2nc(-c3ccc(C)cc3)c[nH]2)CCCC1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186628 | 122870 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 384 | 5 | 3 | 2 | 5.8 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605786 | 122870 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 384 | 5 | 3 | 2 | 5.8 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 127031464 | 138501 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3774903 | 138501 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| 127033555 | 138548 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 423 | 3 | 3 | 4 | 4.8 | N#Cc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775241 | 138548 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 423 | 3 | 3 | 4 | 4.8 | N#Cc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127031771 | 138514 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 400 | 3 | 3 | 5 | 3.7 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775018 | 138514 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 400 | 3 | 3 | 5 | 3.7 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| 127032659 | 138466 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 404 | 3 | 3 | 4 | 5.0 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccsc2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3774626 | 138466 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 404 | 3 | 3 | 4 | 5.0 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccsc2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186650 | 122892 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 333 | 5 | 2 | 4 | 3.7 | Cc1ccc(-c2c[nH]c(C3(NCc4cncnc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605808 | 122892 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 333 | 5 | 2 | 4 | 3.7 | Cc1ccc(-c2c[nH]c(C3(NCc4cncnc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186640 | 122882 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 359 | 7 | 2 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCCCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605798 | 122882 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 359 | 7 | 2 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCCCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 127034426 | 138616 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 477 | 4 | 3 | 8 | 3.6 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775760 | 138616 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 477 | 4 | 3 | 8 | 3.6 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| 71452299 | 83662 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL2204941 | 83662 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127031454 | 138495 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 432 | 3 | 3 | 3 | 5.6 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3774866 | 138495 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 432 | 3 | 3 | 3 | 5.6 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186633 | 122875 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 384 | 5 | 2 | 3 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4cn(C)c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605791 | 122875 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 384 | 5 | 2 | 3 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4cn(C)c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 90644989 | 111821 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 354 | 7 | 2 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCCCc1ccccc1)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287621 | 111821 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 354 | 7 | 2 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCCCc1ccccc1)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 90644982 | 111814 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 394 | 5 | 2 | 2 | 5.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287614 | 111814 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 394 | 5 | 2 | 2 | 5.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 127030230 | 138583 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 434 | 3 | 3 | 3 | 5.2 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1F | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775532 | 138583 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 434 | 3 | 3 | 3 | 5.2 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1F | 10.1016/j.bmcl.2016.02.022 | ||
| 122186638 | 122880 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 331 | 5 | 2 | 2 | 4.9 | Cc1ccc(-c2c[nH]c(C3(NCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605796 | 122880 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 331 | 5 | 2 | 2 | 4.9 | Cc1ccc(-c2c[nH]c(C3(NCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 127030547 | 138613 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 417 | 3 | 3 | 4 | 4.4 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775734 | 138613 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 417 | 3 | 3 | 4 | 4.4 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127032340 | 138591 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 404 | 3 | 3 | 3 | 5.3 | c1ccc2c3c([nH]c2c1)C(C1CCOCC1)NC(c1nc(C2CCCCC2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775580 | 138591 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 404 | 3 | 3 | 3 | 5.3 | c1ccc2c3c([nH]c2c1)C(C1CCOCC1)NC(c1nc(C2CCCCC2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | ||
| 127034428 | 138526 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775061 | 138526 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| 127034427 | 138486 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 477 | 4 | 3 | 8 | 3.6 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3774800 | 138486 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 477 | 4 | 3 | 8 | 3.6 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| 122186641 | 122883 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 283 | 5 | 2 | 2 | 4.2 | CCCNC1(c2nc(-c3ccc(C)cc3)c[nH]2)CCCC1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605799 | 122883 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 283 | 5 | 2 | 2 | 4.2 | CCCNC1(c2nc(-c3ccc(C)cc3)c[nH]2)CCCC1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186631 | 122873 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 374 | 5 | 3 | 2 | 5.3 | Fc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605789 | 122873 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 374 | 5 | 3 | 2 | 5.3 | Fc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 127031154 | 138488 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3774817 | 138488 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | ||
| 90644976 | 111841 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 409 | 5 | 3 | 2 | 5.4 | O=C(Nc1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 | 10.1021/ml500079u | ||
| CHEMBL3287647 | 111841 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 409 | 5 | 3 | 2 | 5.4 | O=C(Nc1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 | 10.1021/ml500079u | ||
| 122186648 | 122890 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 349 | 5 | 2 | 2 | 5.1 | Cc1ccc(-c2c[nH]c(C3(NCc4cccc(F)c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605806 | 122890 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 349 | 5 | 2 | 2 | 5.1 | Cc1ccc(-c2c[nH]c(C3(NCc4cccc(F)c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 127033872 | 138637 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2cc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3775922 | 138637 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2cc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]n2)cc1 | 10.1016/j.bmcl.2016.02.022 | ||
| 3156873 | 111837 | 9 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 311 | 6 | 3 | 2 | 2.8 | O=C(NCCNCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287639 | 111837 | 9 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 311 | 6 | 3 | 2 | 2.8 | O=C(NCCNCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 122186644 | 122886 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 361 | 6 | 2 | 3 | 5.0 | COc1ccc(CNC2(c3nc(-c4ccc(C)cc4)c[nH]3)CCCC2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605802 | 122886 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 361 | 6 | 2 | 3 | 5.0 | COc1ccc(CNC2(c3nc(-c4ccc(C)cc4)c[nH]3)CCCC2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 122186651 | 122893 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 389 | 6 | 2 | 4 | 4.7 | COC(=O)c1ccc(CNC2(c3nc(-c4ccc(C)cc4)c[nH]3)CCCC2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| CHEMBL3605809 | 122893 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 389 | 6 | 2 | 4 | 4.7 | COC(=O)c1ccc(CNC2(c3nc(-c4ccc(C)cc4)c[nH]3)CCCC2)cc1 | 10.1016/j.bmcl.2015.06.087 | ||
| 71462983 | 83659 | 0 | None | 3 | 2 | Mouse | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204938 | 83659 | 0 | None | 3 | 2 | Mouse | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 118710527 | 113697 | 0 | None | 1 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| CHEMBL3323076 | 113697 | 0 | None | 1 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| 118710534 | 113705 | 0 | None | 5 | 2 | Mouse | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323084 | 113705 | 0 | None | 5 | 2 | Mouse | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 122179483 | 121483 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 568 | 7 | 4 | 10 | 2.1 | CCn1cc([C@@]2(c3nn(CC(N)=O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582344 | 121483 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 568 | 7 | 4 | 10 | 2.1 | CCn1cc([C@@]2(c3nn(CC(N)=O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 118710527 | 113697 | 0 | None | -1 | 2 | Mouse | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| CHEMBL3323076 | 113697 | 0 | None | -1 | 2 | Mouse | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| 118710525 | 113695 | 0 | None | 1 | 2 | Mouse | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| CHEMBL3323074 | 113695 | 0 | None | 1 | 2 | Mouse | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| 122179461 | 121459 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 535 | 6 | 3 | 8 | 4.6 | Cc1nc([C@]2(c3cnn(CC4CC4)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | ||
| CHEMBL3582321 | 121459 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 535 | 6 | 3 | 8 | 4.6 | Cc1nc([C@]2(c3cnn(CC4CC4)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | ||
| 122179478 | 121477 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 539 | 6 | 3 | 9 | 3.7 | CCn1cc([C@@]2(c3nn(CC)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582339 | 121477 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 539 | 6 | 3 | 9 | 3.7 | CCn1cc([C@@]2(c3nn(CC)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 10114 | 2556 | 23 | None | 1 | 6 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500079u | ||
| 56927659 | 2556 | 23 | None | 1 | 6 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500079u | ||
| CHEMBL2204935 | 2556 | 23 | None | 1 | 6 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500079u | ||
| 10114 | 2556 | 23 | None | 1 | 6 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| 56927659 | 2556 | 23 | None | 1 | 6 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| CHEMBL2204935 | 2556 | 23 | None | 1 | 6 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| 71459516 | 83660 | 0 | None | 1 | 2 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 492 | 4 | 3 | 6 | 4.3 | Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| CHEMBL2204939 | 83660 | 0 | None | 1 | 2 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 492 | 4 | 3 | 6 | 4.3 | Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| 122179481 | 121481 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 582 | 8 | 3 | 10 | 3.2 | CCn1cc([C@@]2(c3nn(CCN(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582342 | 121481 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 582 | 8 | 3 | 10 | 3.2 | CCn1cc([C@@]2(c3nn(CCN(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 118710534 | 113705 | 0 | None | -5 | 2 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323084 | 113705 | 0 | None | -5 | 2 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 118710523 | 113693 | 0 | None | 2 | 2 | Mouse | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | ||
| CHEMBL3323072 | 113693 | 0 | None | 2 | 2 | Mouse | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | ||
| 122179469 | 121467 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 541 | 6 | 3 | 9 | 4.6 | CCn1cc([C@@]2(c3nnc(SC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582329 | 121467 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 541 | 6 | 3 | 9 | 4.6 | CCn1cc([C@@]2(c3nnc(SC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 71459516 | 83660 | 0 | None | -1 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 492 | 4 | 3 | 6 | 4.3 | Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| CHEMBL2204939 | 83660 | 0 | None | -1 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 492 | 4 | 3 | 6 | 4.3 | Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| 86279005 | 113703 | 2 | None | 1 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323082 | 113703 | 2 | None | 1 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 118710525 | 113695 | 0 | None | -1 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| CHEMBL3323074 | 113695 | 0 | None | -1 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| 71462983 | 83659 | 0 | None | -3 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204938 | 83659 | 0 | None | -3 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 122179476 | 121473 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 539 | 5 | 3 | 9 | 3.7 | CC(C)n1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | ||
| CHEMBL3582335 | 121473 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 539 | 5 | 3 | 9 | 3.7 | CC(C)n1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | ||
| 122179482 | 121482 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 569 | 7 | 4 | 10 | 2.7 | CCn1cc([C@@]2(c3nn(CC(=O)O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582343 | 121482 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 569 | 7 | 4 | 10 | 2.7 | CCn1cc([C@@]2(c3nn(CC(=O)O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 73348311 | 89232 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 454 | 10 | 3 | 2 | 7.8 | CCCCCC1(CCCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| CHEMBL2367837 | 89232 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 454 | 10 | 3 | 2 | 7.8 | CCCCCC1(CCCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| 10114 | 2556 | 23 | None | -1 | 6 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500514w | ||
| 56927659 | 2556 | 23 | None | -1 | 6 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500514w | ||
| CHEMBL2204935 | 2556 | 23 | None | -1 | 6 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500514w | ||
| 10114 | 2556 | 23 | None | -1 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500079u | ||
| 56927659 | 2556 | 23 | None | -1 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500079u | ||
| CHEMBL2204935 | 2556 | 23 | None | -1 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500079u | ||
| 10114 | 2556 | 23 | None | -1 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| 56927659 | 2556 | 23 | None | -1 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| CHEMBL2204935 | 2556 | 23 | None | -1 | 6 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| 122179479 | 121479 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 553 | 6 | 3 | 9 | 4.2 | CCn1cc([C@@]2(c3nn(C(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582340 | 121479 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 553 | 6 | 3 | 9 | 4.2 | CCn1cc([C@@]2(c3nn(C(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 122179477 | 121474 | 5 | None | -2 | 7 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582336 | 121474 | 5 | None | -2 | 7 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 71454093 | 83657 | 0 | None | 1 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204936 | 83657 | 0 | None | 1 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 122179459 | 121456 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 509 | 5 | 3 | 8 | 4.2 | CCn1cc([C@@]2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582319 | 121456 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 509 | 5 | 3 | 8 | 4.2 | CCn1cc([C@@]2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 122179460 | 121458 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 509 | 5 | 3 | 8 | 4.0 | CCc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | ||
| CHEMBL3582320 | 121458 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 509 | 5 | 3 | 8 | 4.0 | CCc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | ||
| 71461260 | 83661 | 0 | None | -1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 496 | 4 | 3 | 8 | 4.3 | Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204940 | 83661 | 0 | None | -1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 496 | 4 | 3 | 8 | 4.3 | Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 122179480 | 121480 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 565 | 7 | 3 | 9 | 4.0 | CCn1cc([C@@]2(c3nn(CC4CC4)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582341 | 121480 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 565 | 7 | 3 | 9 | 4.0 | CCn1cc([C@@]2(c3nn(CC4CC4)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 71461260 | 83661 | 0 | None | 1 | 2 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 496 | 4 | 3 | 8 | 4.3 | Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204940 | 83661 | 0 | None | 1 | 2 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 496 | 4 | 3 | 8 | 4.3 | Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 118710529 | 113699 | 0 | None | 1 | 2 | Mouse | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | ||
| CHEMBL3323078 | 113699 | 0 | None | 1 | 2 | Mouse | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | ||
| 122179475 | 121307 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | ||
| CHEMBL3580681 | 121307 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | ||
| 86279005 | 113703 | 2 | None | -1 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323082 | 113703 | 2 | None | -1 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 118710523 | 113693 | 0 | None | -2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | ||
| CHEMBL3323072 | 113693 | 0 | None | -2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | ||
| 70688791 | 76850 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 414 | 3 | 3 | 3 | 5.6 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCSCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| CHEMBL2069505 | 76850 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 414 | 3 | 3 | 3 | 5.6 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCSCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| 70682466 | 76853 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 497 | 3 | 3 | 4 | 6.1 | CC(C)(C)OC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| CHEMBL2069508 | 76853 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 497 | 3 | 3 | 4 | 6.1 | CC(C)(C)OC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| 118710532 | 113702 | 0 | None | 1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323081 | 113702 | 0 | None | 1 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 122179458 | 121455 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 481 | 4 | 4 | 7 | 3.7 | Cc1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | ||
| CHEMBL3582318 | 121455 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 481 | 4 | 4 | 7 | 3.7 | Cc1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | ||
| 57384077 | 76847 | 0 | None | -1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | ||
| CHEMBL2069502 | 76847 | 0 | None | -1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | ||
| 122179463 | 121461 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 2.8 | Cn1cc([C@@]2(c3noc(CN)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582323 | 121461 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 510 | 5 | 4 | 9 | 2.8 | Cn1cc([C@@]2(c3noc(CN)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 118710532 | 113702 | 0 | None | -1 | 2 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323081 | 113702 | 0 | None | -1 | 2 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 145989896 | 167016 | 0 | None | -7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 7.2 | CCOc1cc(CN2CCC(c3ncc(-c4ccc(F)cc4)[nH]3)CC2)cc(OCC)c1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.8b00305 | ||
| CHEMBL4288417 | 167016 | 0 | None | -7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 7.2 | CCOc1cc(CN2CCC(c3ncc(-c4ccc(F)cc4)[nH]3)CC2)cc(OCC)c1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.8b00305 | ||
| 70697098 | 76848 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| CHEMBL2069503 | 76848 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| 122179451 | 121448 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 476 | 3 | 3 | 2 | 6.4 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(C(F)(F)F)N3)n2)cc1 | 10.1021/ml500514w | ||
| CHEMBL3582311 | 121448 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 476 | 3 | 3 | 2 | 6.4 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(C(F)(F)F)N3)n2)cc1 | 10.1021/ml500514w | ||
| 122179455 | 121452 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 398 | 3 | 3 | 4 | 4.9 | c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3 | 10.1021/ml500514w | ||
| CHEMBL3582315 | 121452 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 398 | 3 | 3 | 4 | 4.9 | c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3 | 10.1021/ml500514w | ||
| 46830055 | 121475 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc(C2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582337 | 121475 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc(C2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 118710530 | 113700 | 0 | None | -1 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | ||
| CHEMBL3323079 | 113700 | 0 | None | -1 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | ||
| 118710526 | 113696 | 0 | None | 1 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| CHEMBL3323075 | 113696 | 0 | None | 1 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| 122179447 | 121444 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 332 | 2 | 3 | 2 | 4.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)CN3)n2)cc1 | 10.1021/ml500514w | ||
| CHEMBL3582307 | 121444 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 332 | 2 | 3 | 2 | 4.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)CN3)n2)cc1 | 10.1021/ml500514w | ||
| 122179450 | 121447 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 422 | 3 | 3 | 2 | 5.8 | CC1(c2ccccc2)N[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500514w | ||
| CHEMBL3582310 | 121447 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 422 | 3 | 3 | 2 | 5.8 | CC1(c2ccccc2)N[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500514w | ||
| 122179449 | 121446 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 397 | 3 | 2 | 2 | 6.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)O3)n2)cc1 | 10.1021/ml500514w | ||
| CHEMBL3582309 | 121446 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 397 | 3 | 2 | 2 | 6.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)O3)n2)cc1 | 10.1021/ml500514w | ||
| 57384077 | 76847 | 0 | None | 1 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| CHEMBL2069502 | 76847 | 0 | None | 1 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| 57384077 | 76847 | 0 | None | 1 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | ||
| CHEMBL2069502 | 76847 | 0 | None | 1 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | ||
| 118710533 | 113704 | 0 | None | 3 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323083 | 113704 | 0 | None | 3 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 122179454 | 121451 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3 | 10.1021/ml500514w | ||
| CHEMBL3582314 | 121451 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3 | 10.1021/ml500514w | ||
| 122179473 | 121471 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 497 | 4 | 4 | 8 | 2.7 | Cn1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | ||
| CHEMBL3582333 | 121471 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 497 | 4 | 4 | 8 | 2.7 | Cn1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | ||
| 71462982 | 83654 | 0 | None | 1 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204932 | 83654 | 0 | None | 1 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 70688793 | 76858 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 454 | 3 | 4 | 3 | 4.5 | CNC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| CHEMBL2069513 | 76858 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 454 | 3 | 4 | 3 | 4.5 | CNC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| 118710537 | 113708 | 0 | None | -4 | 2 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323087 | 113708 | 0 | None | -4 | 2 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 70690870 | 76849 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 384 | 3 | 3 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| CHEMBL2069504 | 76849 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 384 | 3 | 3 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| 71462982 | 83654 | 0 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204932 | 83654 | 0 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 44332931 | 4625 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/jm0108449 | ||
| CHEMBL102892 | 4625 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/jm0108449 | ||
| CHEMBL1201959 | 4625 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/jm0108449 | ||
| 137062183 | 121460 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 497 | 4 | 4 | 9 | 3.1 | Cn1cc([C@@]2(c3noc(O)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582322 | 121460 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 497 | 4 | 4 | 9 | 3.1 | Cn1cc([C@@]2(c3noc(O)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 122179471 | 121469 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 524 | 6 | 4 | 9 | 3.9 | CCn1cc([C@@]2(c3nnc(NC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582331 | 121469 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 524 | 6 | 4 | 9 | 3.9 | CCn1cc([C@@]2(c3nnc(NC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 118710536 | 113707 | 0 | None | 4 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3323086 | 113707 | 0 | None | 4 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 71452298 | 83656 | 0 | None | -1 | 2 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 484 | 4 | 3 | 2 | 6.9 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)n2)cc1 | 10.1021/ml300063m | ||
| CHEMBL2204934 | 83656 | 0 | None | -1 | 2 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 484 | 4 | 3 | 2 | 6.9 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)n2)cc1 | 10.1021/ml300063m | ||
| 122179457 | 121454 | 0 | None | 794 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | ||
| CHEMBL3582317 | 121454 | 0 | None | 794 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | ||
| 11112736 | 16529 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500079u | ||
| CHEMBL1237140 | 16529 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500079u | ||
| CHEMBL1788167 | 16529 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500079u | ||
| 2070 | 697 | 5 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | ||
| 9802572 | 697 | 5 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | ||
| CHEMBL2069499 | 697 | 5 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | ||
| 118710535 | 113706 | 0 | None | 2 | 2 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323085 | 113706 | 0 | None | 2 | 2 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 57384077 | 76847 | 0 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| CHEMBL2069502 | 76847 | 0 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| 70697099 | 76854 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 397 | 3 | 4 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCNCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| CHEMBL2069509 | 76854 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 397 | 3 | 4 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCNCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| 70688792 | 76851 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 430 | 3 | 3 | 3 | 4.6 | [O-][S+]1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| CHEMBL2069506 | 76851 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 430 | 3 | 3 | 3 | 4.6 | [O-][S+]1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| 118710528 | 113698 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| CHEMBL3323077 | 113698 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| 11069321 | 76845 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| CHEMBL2069500 | 76845 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| 71457622 | 83653 | 0 | None | 1 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| CHEMBL2204931 | 83653 | 0 | None | 1 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| 71452299 | 83662 | 0 | None | -1 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | ||
| CHEMBL2204941 | 83662 | 0 | None | -1 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | ||
| 11069321 | 76845 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml500514w | ||
| CHEMBL2069500 | 76845 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml500514w | ||
| 122179452 | 121449 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1 | 10.1021/ml500514w | ||
| CHEMBL3582312 | 121449 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1 | 10.1021/ml500514w | ||
| 122179453 | 121450 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)c1 | 10.1021/ml500514w | ||
| CHEMBL3582313 | 121450 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)c1 | 10.1021/ml500514w | ||
| 71452297 | 83655 | 0 | None | 1 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204933 | 83655 | 0 | None | 1 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 70684549 | 76852 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 446 | 3 | 3 | 4 | 4.3 | O=S1(=O)CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| CHEMBL2069507 | 76852 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 446 | 3 | 3 | 4 | 4.3 | O=S1(=O)CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| 122179468 | 121466 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 527 | 5 | 4 | 9 | 4.2 | CCn1cc([C@@]2(c3nnc(S)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582328 | 121466 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 527 | 5 | 4 | 9 | 4.2 | CCn1cc([C@@]2(c3nnc(S)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 118710524 | 113694 | 0 | None | 1 | 2 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | ||
| CHEMBL3323073 | 113694 | 0 | None | 1 | 2 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | ||
| 122179467 | 121465 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 511 | 5 | 4 | 9 | 3.6 | CCn1cc([C@@]2(c3nnc(O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582327 | 121465 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 511 | 5 | 4 | 9 | 3.6 | CCn1cc([C@@]2(c3nnc(O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 71450468 | 83658 | 0 | None | -1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204937 | 83658 | 0 | None | -1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 71454093 | 83657 | 0 | None | -1 | 2 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204936 | 83657 | 0 | None | -1 | 2 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 70690870 | 76849 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 384 | 3 | 3 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| CHEMBL2069504 | 76849 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 384 | 3 | 3 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)n2)cc1 | 10.1021/ml200272z | ||
| 118710530 | 113700 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | ||
| CHEMBL3323079 | 113700 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | ||
| 145953024 | 162590 | 0 | None | -7 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL4168948 | 162590 | 0 | None | -7 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 886 | 20 | 2 | 10 | 3.4 | CC[C@H](C)[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| 71457622 | 83653 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| CHEMBL2204931 | 83653 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| 118710531 | 113701 | 0 | None | 1 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323080 | 113701 | 0 | None | 1 | 2 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 70688792 | 76851 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 430 | 3 | 3 | 3 | 4.6 | [O-][S+]1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| CHEMBL2069506 | 76851 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 430 | 3 | 3 | 3 | 4.6 | [O-][S+]1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| 71462984 | 83663 | 0 | None | 1 | 2 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| CHEMBL2204942 | 83663 | 0 | None | 1 | 2 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| 122179474 | 121472 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 511 | 4 | 3 | 9 | 2.7 | Cn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582334 | 121472 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 511 | 4 | 3 | 9 | 2.7 | Cn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 122179472 | 121470 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 538 | 6 | 3 | 9 | 3.9 | CCn1cc([C@@]2(c3nnc(N(C)C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582332 | 121470 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 538 | 6 | 3 | 9 | 3.9 | CCn1cc([C@@]2(c3nnc(N(C)C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 122179456 | 121453 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 415 | 3 | 3 | 3 | 5.6 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1 | 10.1021/ml500514w | ||
| CHEMBL3582316 | 121453 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 415 | 3 | 3 | 3 | 5.6 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1 | 10.1021/ml500514w | ||
| 122179466 | 121464 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 5 | 3 | 8 | 4.2 | CCn1cc([C@@]2(c3nnc(C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582326 | 121464 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 5 | 3 | 8 | 4.2 | CCn1cc([C@@]2(c3nnc(C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 71450468 | 83658 | 0 | None | 1 | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204937 | 83658 | 0 | None | 1 | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 11048825 | 109056 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 460 | 8 | 3 | 2 | 7.7 | CCCCC1(CCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(Cl)cc21 | 10.1021/jm0108449 | ||
| CHEMBL321282 | 109056 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 460 | 8 | 3 | 2 | 7.7 | CCCCC1(CCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(Cl)cc21 | 10.1021/jm0108449 | ||
| 10917657 | 60067 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 468 | 10 | 3 | 2 | 8.1 | CCCCCC1(CCCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(C)cc21 | 10.1021/jm0108449 | ||
| CHEMBL173778 | 60067 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 468 | 10 | 3 | 2 | 8.1 | CCCCCC1(CCCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(C)cc21 | 10.1021/jm0108449 | ||
| 70682467 | 76855 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 3 | 3 | 3 | 4.7 | CC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| CHEMBL2069510 | 76855 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 3 | 3 | 3 | 4.7 | CC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| 118710526 | 113696 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| CHEMBL3323075 | 113696 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| 122179465 | 121463 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 5 | 3 | 8 | 4.0 | CCc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | 10.1021/ml500514w | ||
| CHEMBL3582325 | 121463 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 5 | 3 | 8 | 4.0 | CCc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | 10.1021/ml500514w | ||
| 118710529 | 113699 | 0 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | ||
| CHEMBL3323078 | 113699 | 0 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | ||
| 122179470 | 121468 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 496 | 4 | 4 | 9 | 3.0 | Cn1cc([C@@]2(c3nnc(N)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582330 | 121468 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 496 | 4 | 4 | 9 | 3.0 | Cn1cc([C@@]2(c3nnc(N)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 118710524 | 113694 | 0 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | ||
| CHEMBL3323073 | 113694 | 0 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | ||
| 73348312 | 89238 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 410 | 3 | 3 | 2 | 6.2 | CC1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| CHEMBL2367844 | 89238 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 410 | 3 | 3 | 2 | 6.2 | CC1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| 71452299 | 83662 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | ||
| CHEMBL2204941 | 83662 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | ||
| 118710533 | 113704 | 0 | None | -3 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323083 | 113704 | 0 | None | -3 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 122179448 | 121445 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 331 | 2 | 2 | 1 | 5.0 | Fc1ccc(-c2c[nH]c([C@@H]3CCc4[nH]c5ccccc5c4C3)n2)cc1 | 10.1021/ml500514w | ||
| CHEMBL3582308 | 121445 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 331 | 2 | 2 | 1 | 5.0 | Fc1ccc(-c2c[nH]c([C@@H]3CCc4[nH]c5ccccc5c4C3)n2)cc1 | 10.1021/ml500514w | ||
| 118710536 | 113707 | 0 | None | -4 | 2 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323086 | 113707 | 0 | None | -4 | 2 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 71452297 | 83655 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| CHEMBL2204933 | 83655 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | ||
| 118710535 | 113706 | 0 | None | -2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323085 | 113706 | 0 | None | -2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 11112736 | 16529 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| CHEMBL1237140 | 16529 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| CHEMBL1788167 | 16529 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| 122179464 | 121462 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | 10.1021/ml500514w | ||
| CHEMBL3582324 | 121462 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | 10.1021/ml500514w | ||
| 145958767 | 162255 | 0 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 932 | 22 | 2 | 11 | 2.8 | CC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| CHEMBL4163618 | 162255 | 0 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 932 | 22 | 2 | 11 | 2.8 | CC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC | 10.1021/acs.jmedchem.8b00885 | ||
| 25204216 | 76857 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 455 | 3 | 3 | 4 | 5.0 | COC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| CHEMBL2069512 | 76857 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 455 | 3 | 3 | 4 | 5.0 | COC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | ||
| 118710531 | 113701 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323080 | 113701 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 71452298 | 83656 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 484 | 4 | 3 | 2 | 6.9 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)n2)cc1 | 10.1021/ml300063m | ||
| CHEMBL2204934 | 83656 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 484 | 4 | 3 | 2 | 6.9 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)n2)cc1 | 10.1021/ml300063m | ||
| 59411406 | 121476 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc(C2(c3nn(C)c(=O)o3)NC(c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582338 | 121476 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc(C2(c3nn(C)c(=O)o3)NC(c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| 118710528 | 113698 | 0 | None | 1 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| CHEMBL3323077 | 113698 | 0 | None | 1 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | ||
| 118710536 | 113707 | 0 | None | 4 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| CHEMBL3323086 | 113707 | 0 | None | 4 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | ||
| 71462984 | 83663 | 0 | None | -1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| CHEMBL2204942 | 83663 | 0 | None | -1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | ||
| 9910573 | 76846 | 1 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 430 | 8 | 3 | 4 | 4.7 | CCOCC1(COCC)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml200272z | ||
| CHEMBL2069501 | 76846 | 1 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 430 | 8 | 3 | 4 | 4.7 | CCOCC1(COCC)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml200272z | ||
| 154734381 | 217714 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 1095 | 17 | 13 | 14 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1 | None | ||
| 145705877 | 217736 | 0 | None | -1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 1047 | 17 | 9 | 11 | 3.4 | NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)C(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1 | None | ||
| 2072 | 2213 | 0 | None | - | 1 | Mouse | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2019 | 3675 | 0 | None | 10 | 4 | Mouse | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 44386062 | 3675 | 0 | None | 10 | 4 | Mouse | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| CHEMBL440072 | 3675 | 0 | None | 10 | 4 | Mouse | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 16133849 | 3676 | 12 | None | 8 | 4 | Mouse | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2020 | 3676 | 12 | None | 8 | 4 | Mouse | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 91935900 | 3676 | 12 | None | 8 | 4 | Mouse | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| CHEMBL501796 | 3676 | 12 | None | 8 | 4 | Mouse | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2068 | 644 | 0 | None | - | 1 | Mouse | 10.4 | pIC50 | = | 10.4 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2036 | 643 | 0 | None | 15848 | 2 | Mouse | 10.7 | pIC50 | = | 10.7 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2036 | 643 | 0 | None | -15848 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | 9166718 | ||||
| 2053 | 2848 | 0 | None | -79 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | 15709181 | ||||
| 2017 | 2744 | 0 | None | -7079 | 2 | Mouse | 7.0 | pIC50 | = | 7 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2035 | 640 | 0 | None | -31622 | 2 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2026 | 654 | 0 | None | -1 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 11897676 | ||||
| 2027 | 655 | 0 | None | -6 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 11897676 | ||||
| 2042 | 700 | 0 | None | -39 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 15709181 | ||||
| 2041 | 650 | 0 | None | -125 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 9045884 | ||||
| 2032 | 637 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2051 | 3576 | 24 | None | -7 | 4 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 5311430 | 3576 | 24 | None | -7 | 4 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| CHEMBL311695 | 3576 | 24 | None | -7 | 4 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2037 | 645 | 0 | None | -794 | 2 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2031 | 2273 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 71349 | 2273 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| DB06791 | 2273 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2003 | 641 | 0 | None | 79 | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2012 | 1375 | 0 | None | -3 | 4 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 15658864 | ||||
| 2055 | 2907 | 48 | None | -8 | 4 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 383414 | 2907 | 48 | None | -8 | 4 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 90488715 | 2907 | 48 | None | -8 | 4 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| CHEMBL1680 | 2907 | 48 | None | -8 | 4 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| CHEMBL262746 | 2907 | 48 | None | -8 | 4 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| DB00104 | 2907 | 48 | None | -8 | 4 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2013 | 2180 | 0 | None | -2 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 12450568 | ||||
| 2018 | 3007 | 28 | None | -10 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| 9941444 | 3007 | 28 | None | -10 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| CHEMBL3349607 | 3007 | 28 | None | -10 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| DB06663 | 3007 | 28 | None | -10 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| 2039 | 647 | 0 | None | 3 | 2 | Mouse | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2040 | 648 | 0 | None | -5 | 2 | Mouse | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 10114 | 2556 | 23 | None | -1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 24900499 | ||
| 56927659 | 2556 | 23 | None | -1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 24900499 | ||
| CHEMBL2204935 | 2556 | 23 | None | -1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 24900499 | ||
| 2004 | 642 | 0 | None | 19 | 2 | Mouse | 9.4 | pIC50 | = | 9.4 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2077 | 3681 | 0 | None | - | 1 | Human | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11095748 | ||||
| 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 |
| 162648021 | 179973 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| CHEMBL4746816 | 179973 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| 140762500 | 181733 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 529 | 5 | 1 | 5 | 6.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| CHEMBL4777122 | 181733 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 529 | 5 | 1 | 5 | 6.1 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C#N)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| CHEMBL5276605 | 193906 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 474 | 3 | 2 | 5 | 5.5 | N#Cc1cc(F)cc(-c2ccc3ncc(-c4cc(F)cc(F)c4)c(N4CCC(N)CC4)c3c2)c1O | 10.1021/acsmedchemlett.2c00431 | |||
| 140762573 | 182377 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| CHEMBL4785112 | 182377 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)ccc4F)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| 140762567 | 180277 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| CHEMBL4750691 | 180277 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 520 | 5 | 2 | 5 | 5.9 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(O)cc(F)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| 140762568 | 181264 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| CHEMBL4761949 | 181264 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 547 | 6 | 2 | 5 | 5.3 | Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cc(F)cc(C(N)=O)c4)cc3C2C(=O)N(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127391 | |||
| 124168080 | 181834 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 507 | 6 | 2 | 7 | 4.4 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | |||
| CHEMBL4778342 | 181834 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 507 | 6 | 2 | 7 | 4.4 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | |||
| 16129706 | 209031 | 40 | None | - | 5 | Mouse | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm960850i | |||||
| CHEMBL1823872 | 209031 | 40 | None | - | 5 | Mouse | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm960850i | |||||
| 10114 | 2556 | 23 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | |||
| 56927659 | 2556 | 23 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | |||
| CHEMBL2204935 | 2556 | 23 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | |||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm050376t | |||||
| 118710523 | 113693 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | |||
| CHEMBL3323072 | 113693 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | |||
| 118710525 | 113695 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| CHEMBL3323074 | 113695 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| 71459516 | 83660 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 492 | 4 | 3 | 6 | 4.3 | Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| CHEMBL2204939 | 83660 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 492 | 4 | 3 | 6 | 4.3 | Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| 71462983 | 83659 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204938 | 83659 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| 71461260 | 83661 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 496 | 4 | 3 | 8 | 4.3 | Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204940 | 83661 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 496 | 4 | 3 | 8 | 4.3 | Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| 122179477 | 121474 | 5 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582336 | 121474 | 5 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 71454093 | 83657 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204936 | 83657 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| 118710525 | 113695 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| CHEMBL3323074 | 113695 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| 10114 | 2556 | 23 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1016/j.bmcl.2016.02.022 | |||
| 56927659 | 2556 | 23 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL2204935 | 2556 | 23 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1016/j.bmcl.2016.02.022 | |||
| 10114 | 2556 | 23 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | |||
| 56927659 | 2556 | 23 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | |||
| CHEMBL2204935 | 2556 | 23 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | |||
| 10114 | 2556 | 23 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500514w | |||
| 56927659 | 2556 | 23 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500514w | |||
| CHEMBL2204935 | 2556 | 23 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml500514w | |||
| 118710524 | 113694 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | |||
| CHEMBL3323073 | 113694 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | |||
| 71459516 | 83660 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 492 | 4 | 3 | 6 | 4.3 | Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| CHEMBL2204939 | 83660 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 492 | 4 | 3 | 6 | 4.3 | Cn1cc(C2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| 71452298 | 83656 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 484 | 4 | 3 | 2 | 6.9 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)n2)cc1 | 10.1021/ml300063m | |||
| CHEMBL2204934 | 83656 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 484 | 4 | 3 | 2 | 6.9 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)n2)cc1 | 10.1021/ml300063m | |||
| 118710527 | 113697 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| CHEMBL3323076 | 113697 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| 11069321 | 76845 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL2069500 | 76845 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| 11069321 | 76845 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml500514w | |||
| CHEMBL2069500 | 76845 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml500514w | |||
| 118710523 | 113693 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | |||
| CHEMBL3323072 | 113693 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | |||
| 71462983 | 83659 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204938 | 83659 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| 71461260 | 83661 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 496 | 4 | 3 | 8 | 4.3 | Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204940 | 83661 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 496 | 4 | 3 | 8 | 4.3 | Cc1nc(C2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL1824052 | 209036 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | |||||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/ml200032v | |||||
| 122179461 | 121459 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 535 | 6 | 3 | 8 | 4.6 | Cc1nc([C@]2(c3cnn(CC4CC4)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | |||
| CHEMBL3582321 | 121459 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 535 | 6 | 3 | 8 | 4.6 | Cc1nc([C@]2(c3cnn(CC4CC4)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | |||
| 71454093 | 83657 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204936 | 83657 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| 86766278 | 130560 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 539 | 5 | 3 | 7 | 4.9 | COC1CC2C(C1)C2C1(c2nnc(C)o2)N[C@@H](c2nc(-c3ccc(F)c(C)n3)c[nH]2)Cc2c1[nH]c1ccccc21 | nan | |||
| CHEMBL3680938 | 130560 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 539 | 5 | 3 | 7 | 4.9 | COC1CC2C(C1)C2C1(c2nnc(C)o2)N[C@@H](c2nc(-c3ccc(F)c(C)n3)c[nH]2)Cc2c1[nH]c1ccccc21 | nan | |||
| 71450468 | 83658 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204937 | 83658 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| 118710534 | 113705 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323084 | 113705 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| 122179477 | 121474 | 5 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582336 | 121474 | 5 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 127030549 | 138522 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 476 | 4 | 3 | 7 | 4.2 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775042 | 138522 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 476 | 4 | 3 | 7 | 4.2 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| 122179480 | 121480 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 565 | 7 | 3 | 9 | 4.0 | CCn1cc([C@@]2(c3nn(CC4CC4)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582341 | 121480 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 565 | 7 | 3 | 9 | 4.0 | CCn1cc([C@@]2(c3nn(CC4CC4)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL1824051 | 209035 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | |||||
| 118710524 | 113694 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | |||
| CHEMBL3323073 | 113694 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)n1 | 10.1021/ml500028c | |||
| 68306121 | 130559 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 4 | 3 | 7 | 4.8 | Cc1nnc(C2(C3CCCCO3)N[C@@H](c3nc(-c4ccc(F)c(C)n4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | nan | |||
| CHEMBL3680937 | 130559 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 4 | 3 | 7 | 4.8 | Cc1nnc(C2(C3CCCCO3)N[C@@H](c3nc(-c4ccc(F)c(C)n4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | nan | |||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm801205x | |||||
| 70688791 | 76850 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 414 | 3 | 3 | 3 | 5.6 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCSCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL2069505 | 76850 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 414 | 3 | 3 | 3 | 5.6 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCSCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| 71452299 | 83662 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | |||
| CHEMBL2204941 | 83662 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | |||
| 118710529 | 113699 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | |||
| CHEMBL3323078 | 113699 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | |||
| 86279005 | 113703 | 2 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323082 | 113703 | 2 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| 127030230 | 138583 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 434 | 3 | 3 | 3 | 5.2 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1F | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775532 | 138583 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 434 | 3 | 3 | 3 | 5.2 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1F | 10.1016/j.bmcl.2016.02.022 | |||
| 122179469 | 121467 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 541 | 6 | 3 | 9 | 4.6 | CCn1cc([C@@]2(c3nnc(SC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582329 | 121467 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 541 | 6 | 3 | 9 | 4.6 | CCn1cc([C@@]2(c3nnc(SC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 127032662 | 138555 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 454 | 3 | 3 | 4 | 6.1 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2csc4ccccc24)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775284 | 138555 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 454 | 3 | 3 | 4 | 6.1 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2csc4ccccc24)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3350912 | 211530 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||||
| 118710535 | 113706 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323085 | 113706 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cncc(C(=O)O)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL2079558 | 209194 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL2079626 | 209197 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL3349611 | 211438 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm970730q | |||||
| 49865345 | 15911 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1043 | 18 | 13 | 12 | 0.7 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C/C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 | 10.1021/jm1005868 | |||
| CHEMBL1223230 | 15911 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1043 | 18 | 13 | 12 | 0.7 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C/C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 | 10.1021/jm1005868 | |||
| CHEMBL2372606 | 210276 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||||
| CHEMBL2372608 | 210276 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||||
| 127034125 | 138612 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.1 | CC1(c2nc(-c3ccccc3)c[nH]2)Cc2c([nH]c3ccccc23)C(C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775729 | 138612 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.1 | CC1(c2nc(-c3ccccc3)c[nH]2)Cc2c([nH]c3ccccc23)C(C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| 44560867 | 189140 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1204 | 18 | 12 | 14 | 1.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N(C)C(=O)c2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL510693 | 189140 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1204 | 18 | 12 | 14 | 1.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N(C)C(=O)c2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL3350725 | 211490 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)c(I)c2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL425465 | 213335 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | |||||
| 2051 | 3576 | 24 | None | -218 | 9 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/ml200032v | |||||
| 5311430 | 3576 | 24 | None | -218 | 9 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/ml200032v | |||||
| CHEMBL311695 | 3576 | 24 | None | -218 | 9 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | None | 10.1021/ml200032v | |||||
| 25189327 | 12696 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 601 | 11 | 4 | 4 | 4.7 | NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1187509 | 12696 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 601 | 11 | 4 | 4 | 4.7 | NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL505888 | 12696 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 601 | 11 | 4 | 4 | 4.7 | NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL3351090 | 211544 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 127033551 | 138573 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775418 | 138573 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL410047 | 212797 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | |||||
| 122179452 | 121449 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1 | 10.1021/ml500514w | |||
| CHEMBL3582312 | 121449 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1 | 10.1021/ml500514w | |||
| 122179447 | 121444 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 332 | 2 | 3 | 2 | 4.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)CN3)n2)cc1 | 10.1021/ml500514w | |||
| CHEMBL3582307 | 121444 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 332 | 2 | 3 | 2 | 4.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)CN3)n2)cc1 | 10.1021/ml500514w | |||
| 122179454 | 121451 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3 | 10.1021/ml500514w | |||
| CHEMBL3582314 | 121451 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3 | 10.1021/ml500514w | |||
| CHEMBL2371059 | 210006 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CNc1ccc(C(C(C)C)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | |||||
| CHEMBL452074 | 213974 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2c[nH]c(C(=O)O)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701445q | |||||
| 70689723 | 73968 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL2021559 | 73968 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| 45273129 | 195737 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1173 | 19 | 14 | 15 | 1.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSS[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)NC1=O | 10.1021/jm801314f | |||
| CHEMBL557288 | 195737 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1173 | 19 | 14 | 15 | 1.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSS[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)NC1=O | 10.1021/jm801314f | |||
| CHEMBL510755 | 215588 | 0 | None | -3 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL3349506 | 211411 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm970730q | |||||
| CHEMBL3350908 | 211527 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](c1c[nH]c2ccccc12)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030245x | |||||
| 25187685 | 12470 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 648 | 11 | 4 | 5 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1186206 | 12470 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 648 | 11 | 4 | 5 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL454202 | 12470 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 648 | 11 | 4 | 5 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL3349666 | 211450 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL415585 | 213193 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL503596 | 214170 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 70684549 | 76852 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 446 | 3 | 3 | 4 | 4.3 | O=S1(=O)CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL2069507 | 76852 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 446 | 3 | 3 | 4 | 4.3 | O=S1(=O)CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL505704 | 214196 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(=O)NO)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| 118718507 | 115358 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1050 | 14 | 11 | 12 | 3.4 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)NC(C)(C)C)NC1=O | 10.1021/jm970730q | |||
| CHEMBL3349670 | 115358 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1050 | 14 | 11 | 12 | 3.4 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)NC(C)(C)C)NC1=O | 10.1021/jm970730q | |||
| 44560872 | 188415 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1677 | 31 | 18 | 22 | -1.0 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL502077 | 188415 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1677 | 31 | 18 | 22 | -1.0 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| 44325273 | 207308 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.4 | NCCCC1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc34)C(=O)C12 | 10.1016/s0960-894x(00)00552-7 | |||
| CHEMBL93351 | 207308 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.4 | NCCCC1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc34)C(=O)C12 | 10.1016/s0960-894x(00)00552-7 | |||
| 127030228 | 138554 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 428 | 4 | 3 | 4 | 4.9 | COc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775282 | 138554 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 428 | 4 | 3 | 4 | 4.9 | COc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL406816 | 212623 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||||
| CHEMBL425090 | 213329 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||||
| CHEMBL1824055 | 209039 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | |||||
| CHEMBL452157 | 213976 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | |||||
| CHEMBL1824055 | 209039 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL452157 | 213976 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL1824049 | 209033 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | |||||
| CHEMBL1824055 | 209039 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | |||||
| CHEMBL452157 | 213976 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | |||||
| CHEMBL452157 | 213976 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL452157 | 213976 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm801314f | |||||
| CHEMBL452157 | 213976 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | |||||
| CHEMBL265912 | 210671 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm010037+ | |||||
| 122179463 | 121461 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 2.8 | Cn1cc([C@@]2(c3noc(CN)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582323 | 121461 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 510 | 5 | 4 | 9 | 2.8 | Cn1cc([C@@]2(c3noc(CN)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3349663 | 211447 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL1824053 | 209037 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | |||||
| 45102042 | 17031 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 522 | 13 | 3 | 7 | 2.9 | COC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](NC(=O)CCCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL1254395 | 17031 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 522 | 13 | 3 | 7 | 2.9 | COC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](NC(=O)CCCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| 127032663 | 138604 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 3 | 4 | 3 | 5.4 | c1ccc2c(-c3c[nH]c([C@H]4Cc5c([nH]c6ccccc56)[C@@H](C5CCOCC5)N4)n3)c[nH]c2c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775643 | 138604 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 3 | 4 | 3 | 5.4 | c1ccc2c(-c3c[nH]c([C@H]4Cc5c([nH]c6ccccc56)[C@@H](C5CCOCC5)N4)n3)c[nH]c2c1 | 10.1016/j.bmcl.2016.02.022 | |||
| 127033869 | 138480 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 3 | 2 | 4 | 5.1 | Cn1cc(-c2ccc(F)cc2)nc1[C@H]1Cc2c([nH]c3ccccc23)[C@H](C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774771 | 138480 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 3 | 2 | 4 | 5.1 | Cn1cc(-c2ccc(F)cc2)nc1[C@H]1Cc2c([nH]c3ccccc23)[C@H](C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3350894 | 211516 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| 118718854 | 115416 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL3350354 | 115416 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL3349618 | 211444 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm970730q | |||||
| CHEMBL509363 | 215434 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL3349617 | 211443 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm970730q | |||||
| CHEMBL415582 | 213190 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| 57384077 | 76847 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL2069502 | 76847 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL2371100 | 210012 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | |||||
| CHEMBL525030 | 215631 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1SSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 57384077 | 76847 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL2069502 | 76847 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| 57384077 | 76847 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | |||
| CHEMBL2069502 | 76847 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | |||
| CHEMBL3349613 | 211440 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | |||||
| 127031455 | 138494 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 423 | 3 | 3 | 4 | 4.8 | N#Cc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774861 | 138494 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 423 | 3 | 3 | 4 | 4.8 | N#Cc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3349679 | 211462 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm970730q | |||||
| 127032659 | 138466 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 404 | 3 | 3 | 4 | 5.0 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccsc2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774626 | 138466 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 404 | 3 | 3 | 4 | 5.0 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccsc2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL1824054 | 209038 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | |||||
| CHEMBL505854 | 214198 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 44290766 | 157956 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1101 | 15 | 11 | 12 | 2.0 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | |||
| CHEMBL408471 | 157956 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1101 | 15 | 11 | 12 | 2.0 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | |||
| 127032341 | 138626 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 378 | 2 | 3 | 3 | 4.5 | CC(C)(C)c1c[nH]c(C2Cc3c([nH]c4ccccc34)C(C3CCOCC3)N2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775825 | 138626 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 378 | 2 | 3 | 3 | 4.5 | CC(C)(C)c1c[nH]c(C2Cc3c([nH]c4ccccc34)C(C3CCOCC3)N2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL552013 | 215721 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | |||||
| 25187398 | 12448 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 4.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1186066 | 12448 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 4.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL448026 | 12448 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 4.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL502219 | 214151 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL499760 | 214101 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CONC(=O)Nc1ccc(C[C@@H]2NC(=O)[C@H](NC(=O)[C@H](N)Cc3ccc(Cl)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm701618q | |||||
| 42637503 | 195817 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL558161 | 195817 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| 11468916 | 115463 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1137 | 15 | 14 | 14 | 0.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||
| CHEMBL3350910 | 115463 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1137 | 15 | 14 | 14 | 0.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||
| CHEMBL3122123 | 211102 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | |||||
| CHEMBL3122127 | 211105 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2013.12.003 | |||||
| 70682467 | 76855 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 439 | 3 | 3 | 3 | 4.7 | CC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL2069510 | 76855 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 439 | 3 | 3 | 3 | 4.7 | CC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL3349680 | 211463 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm970730q | |||||
| CHEMBL2311181 | 209507 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 25187679 | 12671 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 571 | 10 | 4 | 4 | 4.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1187340 | 12671 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 571 | 10 | 4 | 4 | 4.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL499398 | 12671 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 571 | 10 | 4 | 4 | 4.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1908984 | 209072 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | |||||
| CHEMBL563124 | 209072 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | |||||
| 44560876 | 188776 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1324 | 21 | 17 | 17 | -0.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL505628 | 188776 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1324 | 21 | 17 | 17 | -0.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| 127031464 | 138501 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774903 | 138501 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL1824057 | 209041 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | |||||
| 127032660 | 138575 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 3 | 3 | 4 | 5.6 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)s1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775435 | 138575 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 3 | 3 | 4 | 5.6 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)s1 | 10.1016/j.bmcl.2016.02.022 | |||
| 45273131 | 194786 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1271 | 20 | 11 | 14 | 2.8 | CN(C(=O)c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm801314f | |||
| CHEMBL538451 | 194786 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1271 | 20 | 11 | 14 | 2.8 | CN(C(=O)c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm801314f | |||
| 122179473 | 121471 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 497 | 4 | 4 | 8 | 2.7 | Cn1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | |||
| CHEMBL3582333 | 121471 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 497 | 4 | 4 | 8 | 2.7 | Cn1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | |||
| CHEMBL415359 | 213185 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL3349677 | 211460 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL2011465 | 209113 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/ml200032v | |||||
| CHEMBL2011466 | 209114 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 10.1021/ml200032v | |||||
| CHEMBL3349668 | 211452 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL3349664 | 211448 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL2111257 | 209216 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@H](C)c2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | |||||
| 127031155 | 138448 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccccc1-c1c[nH]c([C@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCOCC3)N2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774495 | 138448 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccccc1-c1c[nH]c([C@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCOCC3)N2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3350357 | 211475 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | |||||
| CHEMBL3122128 | 211106 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | |||||
| CHEMBL502777 | 214157 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 25187400 | 12694 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 537 | 10 | 4 | 4 | 3.7 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1187495 | 12694 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 537 | 10 | 4 | 4 | 3.7 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL504930 | 12694 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 537 | 10 | 4 | 4 | 3.7 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL263306 | 210566 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL2372604 | 210275 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||||
| CHEMBL2372607 | 210275 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||||
| CHEMBL2372604 | 210275 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||||
| CHEMBL2372607 | 210275 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||||
| CHEMBL263587 | 210578 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | |||||
| CHEMBL446380 | 213945 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL447989 | 213953 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 71462982 | 83654 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204932 | 83654 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| 127031465 | 138492 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774851 | 138492 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 3 | 3 | 4 | 4.3 | c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3350887 | 211510 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CNc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | |||||
| CHEMBL1824050 | 209034 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | |||||
| 122179476 | 121473 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 539 | 5 | 3 | 9 | 3.7 | CC(C)n1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | |||
| CHEMBL3582335 | 121473 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 539 | 5 | 3 | 9 | 3.7 | CC(C)n1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | |||
| 127034429 | 138473 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 507 | 5 | 3 | 9 | 3.6 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@](c4cnn(C)c4)(c4noc(C)n4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774684 | 138473 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 507 | 5 | 3 | 9 | 3.6 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@](c4cnn(C)c4)(c4noc(C)n4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| 122179451 | 121448 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 476 | 3 | 3 | 2 | 6.4 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(C(F)(F)F)N3)n2)cc1 | 10.1021/ml500514w | |||
| CHEMBL3582311 | 121448 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 476 | 3 | 3 | 2 | 6.4 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(C(F)(F)F)N3)n2)cc1 | 10.1021/ml500514w | |||
| 122179479 | 121479 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 553 | 6 | 3 | 9 | 4.2 | CCn1cc([C@@]2(c3nn(C(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582340 | 121479 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 553 | 6 | 3 | 9 | 4.2 | CCn1cc([C@@]2(c3nn(C(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 122179481 | 121481 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 582 | 8 | 3 | 10 | 3.2 | CCn1cc([C@@]2(c3nn(CCN(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582342 | 121481 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 582 | 8 | 3 | 10 | 3.2 | CCn1cc([C@@]2(c3nn(CCN(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 86279005 | 113703 | 2 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323082 | 113703 | 2 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| 122179459 | 121456 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 509 | 5 | 3 | 8 | 4.2 | CCn1cc([C@@]2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582319 | 121456 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 509 | 5 | 3 | 8 | 4.2 | CCn1cc([C@@]2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 122179466 | 121464 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 509 | 5 | 3 | 8 | 4.2 | CCn1cc([C@@]2(c3nnc(C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582326 | 121464 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 509 | 5 | 3 | 8 | 4.2 | CCn1cc([C@@]2(c3nnc(C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 122179477 | 121474 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582336 | 121474 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 71450468 | 83658 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204937 | 83658 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL1823873 | 209032 | 9 | None | -1 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | |||||
| CHEMBL3122130 | 211108 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2013.12.003 | |||||
| 122179483 | 121483 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 568 | 7 | 4 | 10 | 2.1 | CCn1cc([C@@]2(c3nn(CC(N)=O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582344 | 121483 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 568 | 7 | 4 | 10 | 2.1 | CCn1cc([C@@]2(c3nn(CC(N)=O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 122179477 | 121474 | 5 | None | - | 0 | Dog | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582336 | 121474 | 5 | None | - | 0 | Dog | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 68306177 | 130557 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 3 | 7 | 4.0 | CCOC[C@@]1(c2nnc(C)o2)N[C@@H](c2nc(-c3ccc(F)cn3)c[nH]2)Cc2c1[nH]c1ccccc21 | nan | |||
| CHEMBL3680935 | 130557 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 3 | 7 | 4.0 | CCOC[C@@]1(c2nnc(C)o2)N[C@@H](c2nc(-c3ccc(F)cn3)c[nH]2)Cc2c1[nH]c1ccccc21 | nan | |||
| 127030550 | 138601 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 476 | 4 | 3 | 7 | 4.2 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775630 | 138601 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 476 | 4 | 3 | 7 | 4.2 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| 122179456 | 121453 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 415 | 3 | 3 | 3 | 5.6 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1 | 10.1021/ml500514w | |||
| CHEMBL3582316 | 121453 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 415 | 3 | 3 | 3 | 5.6 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1 | 10.1021/ml500514w | |||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm701445q | |||||
| 71452299 | 83662 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL2204941 | 83662 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| 71452299 | 83662 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | |||
| CHEMBL2204941 | 83662 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | |||
| 127033002 | 138537 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 507 | 5 | 3 | 9 | 3.6 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@](c4cnn(C)c4)(c4noc(C)n4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775160 | 138537 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 507 | 5 | 3 | 9 | 3.6 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@](c4cnn(C)c4)(c4noc(C)n4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| 122179475 | 121307 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | |||
| CHEMBL3580681 | 121307 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O | 10.1021/ml500514w | |||
| 122179460 | 121458 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 509 | 5 | 3 | 8 | 4.0 | CCc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | |||
| CHEMBL3582320 | 121458 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 509 | 5 | 3 | 8 | 4.0 | CCc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | |||
| 118710530 | 113700 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | |||
| CHEMBL3323079 | 113700 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)nc1 | 10.1021/ml500028c | |||
| CHEMBL504395 | 214176 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 122179453 | 121450 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)c1 | 10.1021/ml500514w | |||
| CHEMBL3582313 | 121450 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 397 | 3 | 3 | 3 | 5.5 | c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)c1 | 10.1021/ml500514w | |||
| 122179458 | 121455 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 481 | 4 | 4 | 7 | 3.7 | Cc1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | |||
| CHEMBL3582318 | 121455 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 481 | 4 | 4 | 7 | 3.7 | Cc1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | |||
| CHEMBL2011467 | 209115 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 10.1021/ml200032v | |||||
| CHEMBL2011462 | 209110 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/ml200032v | |||||
| 70688792 | 76851 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 430 | 3 | 3 | 3 | 4.6 | [O-][S+]1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL2069506 | 76851 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 430 | 3 | 3 | 3 | 4.6 | [O-][S+]1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL3350891 | 211514 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| 90663872 | 106738 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1646 | 26 | 24 | 30 | -7.4 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||
| CHEMBL3144282 | 106738 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1646 | 26 | 24 | 30 | -7.4 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||
| CHEMBL3144284 | 106738 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1646 | 26 | 24 | 30 | -7.4 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||
| CHEMBL219201 | 209409 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)C(=O)N[C@@H](Cc2ccc(NC(N)=O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm060363v | |||||
| CHEMBL3349597 | 211426 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/jm970730q | |||||
| CHEMBL3350898 | 211520 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| 70688792 | 76851 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 430 | 3 | 3 | 3 | 4.6 | [O-][S+]1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL2069506 | 76851 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 430 | 3 | 3 | 3 | 4.6 | [O-][S+]1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL436962 | 213700 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm049519m | |||||
| 127030232 | 138645 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 430 | 3 | 2 | 4 | 5.1 | Cn1cc(-c2ccc(F)cc2)nc1[C@H]1Cc2c([nH]c3ccccc23)[C@@H](C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775986 | 138645 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 430 | 3 | 2 | 4 | 5.1 | Cn1cc(-c2ccc(F)cc2)nc1[C@H]1Cc2c([nH]c3ccccc23)[C@@H](C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3349673 | 211456 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 127030231 | 138523 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 3 | 3 | 3 | 5.2 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c(F)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775050 | 138523 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 3 | 3 | 3 | 5.2 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c(F)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| 127034125 | 138612 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.1 | CC1(c2nc(-c3ccccc3)c[nH]2)Cc2c([nH]c3ccccc23)C(C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775729 | 138612 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.1 | CC1(c2nc(-c3ccccc3)c[nH]2)Cc2c([nH]c3ccccc23)C(C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| 118710536 | 113707 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323086 | 113707 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| 127032340 | 138591 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 404 | 3 | 3 | 3 | 5.3 | c1ccc2c3c([nH]c2c1)C(C1CCOCC1)NC(c1nc(C2CCCCC2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775580 | 138591 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 404 | 3 | 3 | 3 | 5.3 | c1ccc2c3c([nH]c2c1)C(C1CCOCC1)NC(c1nc(C2CCCCC2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| 45273130 | 195569 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1263 | 19 | 14 | 15 | 2.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](c3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(C(N)=O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H]([C@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL554976 | 195569 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1263 | 19 | 14 | 15 | 2.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](c3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(C(N)=O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H]([C@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL3349669 | 211453 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 70689221 | 77856 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1033 | 12 | 13 | 14 | -0.7 | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)N(C)[C@@H](O)NC1=O | 10.1021/jm030243c | |||
| CHEMBL2093026 | 77856 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1033 | 12 | 13 | 14 | -0.7 | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)N(C)[C@@H](O)NC1=O | 10.1021/jm030243c | |||
| 127034427 | 138486 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 477 | 4 | 3 | 8 | 3.6 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774800 | 138486 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 477 | 4 | 3 | 8 | 3.6 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3122129 | 211107 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | |||||
| 46830055 | 121475 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc(C2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582337 | 121475 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc(C2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 122179448 | 121445 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 331 | 2 | 2 | 1 | 5.0 | Fc1ccc(-c2c[nH]c([C@@H]3CCc4[nH]c5ccccc5c4C3)n2)cc1 | 10.1021/ml500514w | |||
| CHEMBL3582308 | 121445 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 331 | 2 | 2 | 1 | 5.0 | Fc1ccc(-c2c[nH]c([C@@H]3CCc4[nH]c5ccccc5c4C3)n2)cc1 | 10.1021/ml500514w | |||
| 90663868 | 106736 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1484 | 23 | 21 | 25 | -5.2 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||
| CHEMBL3144280 | 106736 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1484 | 23 | 21 | 25 | -5.2 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||
| CHEMBL3144290 | 106736 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1484 | 23 | 21 | 25 | -5.2 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||
| CHEMBL3350905 | 211524 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||||
| 127032342 | 138633 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 456 | 3 | 3 | 3 | 5.7 | c1ccc2c3c([nH]c2c1)C(C1CCOCC1)NC(c1nc(C24CC5CC(CC(C5)C2)C4)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775851 | 138633 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 456 | 3 | 3 | 3 | 5.7 | c1ccc2c3c([nH]c2c1)C(C1CCOCC1)NC(c1nc(C24CC5CC(CC(C5)C2)C4)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| 49865343 | 15909 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1147 | 20 | 12 | 13 | 2.2 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | |||
| CHEMBL1223228 | 15909 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1147 | 20 | 12 | 13 | 2.2 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | |||
| 122179449 | 121446 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 397 | 3 | 2 | 2 | 6.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)O3)n2)cc1 | 10.1021/ml500514w | |||
| CHEMBL3582309 | 121446 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 397 | 3 | 2 | 2 | 6.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)O3)n2)cc1 | 10.1021/ml500514w | |||
| 16737814 | 85507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL227212 | 85507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL504838 | 85507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| 16737814 | 85507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | |||
| CHEMBL227212 | 85507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | |||
| CHEMBL504838 | 85507 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | |||
| 42637563 | 195510 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 989 | 12 | 9 | 12 | 2.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL553656 | 195510 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 989 | 12 | 9 | 12 | 2.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| 42637136 | 196504 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL563462 | 196504 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL387005 | 212403 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@H]3CCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | |||||
| CHEMBL451932 | 213973 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| 127033870 | 138533 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 430 | 3 | 2 | 4 | 5.1 | Cn1c2c(c3ccccc31)C[C@H](c1nc(-c3ccc(F)cc3)c[nH]1)N[C@@H]2C1CCOCC1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775120 | 138533 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 430 | 3 | 2 | 4 | 5.1 | Cn1c2c(c3ccccc31)C[C@H](c1nc(-c3ccc(F)cc3)c[nH]1)N[C@@H]2C1CCOCC1 | 10.1016/j.bmcl.2016.02.022 | |||
| 127030226 | 138621 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 466 | 3 | 3 | 3 | 5.9 | FC(F)(F)c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775793 | 138621 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 466 | 3 | 3 | 3 | 5.9 | FC(F)(F)c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| 25189054 | 12704 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 685 | 11 | 4 | 6 | 3.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1187568 | 12704 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 685 | 11 | 4 | 6 | 3.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL509513 | 12704 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 685 | 11 | 4 | 6 | 3.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL3350893 | 211515 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL3350886 | 211509 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL2079559 | 209195 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 44368398 | 10266 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL1161331 | 10266 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL265846 | 210667 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm010037+ | |||||
| CHEMBL502511 | 214155 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1SSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 127033872 | 138637 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2cc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775922 | 138637 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1ccc(-c2cc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL412629 | 213012 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CNCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| 127033874 | 138600 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 417 | 3 | 3 | 4 | 4.4 | Fc1ccc(-c2n[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775625 | 138600 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 417 | 3 | 3 | 4 | 4.4 | Fc1ccc(-c2n[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL428799 | 213471 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| CHEMBL2079558 | 209194 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 122179457 | 121454 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | |||
| CHEMBL3582317 | 121454 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml500514w | |||
| 122179478 | 121477 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 539 | 6 | 3 | 9 | 3.7 | CCn1cc([C@@]2(c3nn(CC)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582339 | 121477 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 539 | 6 | 3 | 9 | 3.7 | CCn1cc([C@@]2(c3nn(CC)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 13690207 | 115382 | 0 | None | - | 5 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm960850i | |||
| CHEMBL3350037 | 115382 | 0 | None | - | 5 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm960850i | |||
| CHEMBL2371085 | 210011 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | |||||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | |||||
| CHEMBL1907758 | 209068 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm040794i | |||||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2013.12.003 | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2013.12.003 | |||||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm701618q | |||||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm049519m | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm049519m | |||||
| 118710528 | 113698 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| CHEMBL3323077 | 113698 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1cncc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| CHEMBL2371060 | 210007 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL408338 | 212706 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm049520l | |||||
| CHEMBL409100 | 212746 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm010037+ | |||||
| CHEMBL1907758 | 209068 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030245x | |||||
| 122179471 | 121469 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 524 | 6 | 4 | 9 | 3.9 | CCn1cc([C@@]2(c3nnc(NC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582331 | 121469 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 524 | 6 | 4 | 9 | 3.9 | CCn1cc([C@@]2(c3nnc(NC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 122179457 | 121454 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3582317 | 121454 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm070886i | |||||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm1005868 | |||||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm049520l | |||||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm701444y | |||||
| 25189052 | 12672 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 676 | 10 | 5 | 6 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1187345 | 12672 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 676 | 10 | 5 | 6 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL499681 | 12672 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 676 | 10 | 5 | 6 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O | 10.1021/jm801205x | |||
| 118710531 | 113701 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323080 | 113701 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL503036 | 214160 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 25188220 | 12491 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | |||
| CHEMBL1186489 | 12491 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | |||
| CHEMBL466609 | 12491 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | |||
| CHEMBL2011464 | 209112 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/ml200032v | |||||
| 10577746 | 207252 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 514 | 8 | 3 | 4 | 4.6 | NCCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)SCCN(Cc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(00)00552-7 | |||
| CHEMBL92914 | 207252 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 514 | 8 | 3 | 4 | 4.6 | NCCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)SCCN(Cc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(00)00552-7 | |||
| CHEMBL506892 | 214216 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1SS[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL406197 | 212598 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | |||||
| 45267999 | 195689 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1271 | 20 | 11 | 14 | 2.8 | CN(C(=O)c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm801314f | |||
| CHEMBL556735 | 195689 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1271 | 20 | 11 | 14 | 2.8 | CN(C(=O)c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm801314f | |||
| CHEMBL2079559 | 209195 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 25187953 | 12689 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 725 | 10 | 4 | 6 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 | 10.1021/jm801205x | |||
| CHEMBL1187458 | 12689 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 725 | 10 | 4 | 6 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 | 10.1021/jm801205x | |||
| CHEMBL503379 | 12689 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 725 | 10 | 4 | 6 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 | 10.1021/jm801205x | |||
| 44368398 | 10266 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL1161331 | 10266 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL387458 | 212410 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL3350726 | 211491 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL3350880 | 211503 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CNc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | |||||
| CHEMBL524327 | 215602 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(NC(N)=O)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| 70683416 | 73967 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL2021544 | 73967 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| 127031456 | 138483 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.2 | Cc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774791 | 138483 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.2 | Cc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3350897 | 211519 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](c1c[nH]c2ccccc12)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL2372603 | 210274 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm040794i | |||||
| CHEMBL511086 | 215592 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(NC(N)=O)cc2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| 127032661 | 138525 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 418 | 3 | 3 | 4 | 5.3 | Cc1csc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775055 | 138525 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 418 | 3 | 3 | 4 | 5.3 | Cc1csc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| 127030227 | 138568 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 414 | 3 | 4 | 4 | 4.6 | Oc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775398 | 138568 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 414 | 3 | 4 | 4 | 4.6 | Oc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL510901 | 215590 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm701618q | |||||
| 45268875 | 195610 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1363 | 19 | 12 | 15 | 2.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)CSSC[C@@H](C(=O)N[C@@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL555977 | 195610 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1363 | 19 | 12 | 15 | 2.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)CSSC[C@@H](C(=O)N[C@@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL386023 | 212373 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||||
| CHEMBL414571 | 213144 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| CHEMBL447658 | 213952 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL3350884 | 211507 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | |||||
| 70688793 | 76858 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 454 | 3 | 4 | 3 | 4.5 | CNC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL2069513 | 76858 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 454 | 3 | 4 | 3 | 4.5 | CNC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL3350881 | 211504 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| 90663867 | 106735 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1322 | 20 | 18 | 20 | -3.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O)[C@@H]2O)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm040794i | |||
| CHEMBL3144279 | 106735 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1322 | 20 | 18 | 20 | -3.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O)[C@@H]2O)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm040794i | |||
| CHEMBL455760 | 214008 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2c[nH]c(C(=O)O)c2)CCSSCC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701445q | |||||
| CHEMBL453936 | 213990 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSS[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 11563877 | 164720 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 668 | 9 | 3 | 5 | 5.7 | Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](C(=O)Nc2cc(CN(C)C)ccc2OC(F)(F)F)[C@@H](C)c2c[nH]c3ccccc23)CC1=O | 10.1016/j.bmc.2017.09.031 | |||
| CHEMBL4217405 | 164720 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 668 | 9 | 3 | 5 | 5.7 | Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](C(=O)Nc2cc(CN(C)C)ccc2OC(F)(F)F)[C@@H](C)c2c[nH]c3ccccc23)CC1=O | 10.1016/j.bmc.2017.09.031 | |||
| 127033555 | 138548 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 423 | 3 | 3 | 4 | 4.8 | N#Cc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775241 | 138548 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 423 | 3 | 3 | 4 | 4.8 | N#Cc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3349676 | 211459 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL504087 | 214173 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CCSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL219375 | 209413 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm060363v | |||||
| 46902023 | 17038 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.7 | COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL1254476 | 17038 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.7 | COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL3350883 | 211506 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@@H](C)c2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL426698 | 213348 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)CNCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| 118718854 | 115416 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL3350354 | 115416 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL526498 | 215687 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc([N+](=O)[O-])cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL386768 | 212389 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | |||||
| 127030547 | 138613 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 417 | 3 | 3 | 4 | 4.4 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775734 | 138613 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 417 | 3 | 3 | 4 | 4.4 | Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL219375 | 209413 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm701445q | |||||
| CHEMBL219375 | 209413 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm801314f | |||||
| CHEMBL216992 | 209348 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | |||||
| 70697098 | 76848 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL2069503 | 76848 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| 127029888 | 138572 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 474 | 4 | 3 | 3 | 6.6 | c1ccc(-c2ccc(-c3c[nH]c([C@H]4Cc5c([nH]c6ccccc56)[C@@H](C5CCOCC5)N4)n3)cc2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775414 | 138572 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 474 | 4 | 3 | 3 | 6.6 | c1ccc(-c2ccc(-c3c[nH]c([C@H]4Cc5c([nH]c6ccccc56)[C@@H](C5CCOCC5)N4)n3)cc2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| 90663875 | 106741 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1424 | 23 | 18 | 21 | -2.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCS[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| CHEMBL3144287 | 106741 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1424 | 23 | 18 | 21 | -2.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCS[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| 25204216 | 76857 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 3 | 3 | 4 | 5.0 | COC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL2069512 | 76857 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 3 | 3 | 4 | 5.0 | COC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| 71462984 | 83663 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| CHEMBL2204942 | 83663 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm801314f | |||||
| 122179474 | 121472 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 511 | 4 | 3 | 9 | 2.7 | Cn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582334 | 121472 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 511 | 4 | 3 | 9 | 2.7 | Cn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL2369533 | 209632 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm010037+ | |||||
| 118710531 | 113701 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323080 | 113701 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL500326 | 214111 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 53311297 | 130558 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 499 | 4 | 3 | 7 | 4.4 | Cc1nnc(C2(C3CCCO3)N[C@@H](c3nc(-c4ccc(F)c(C)n4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | nan | |||
| CHEMBL3680936 | 130558 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 499 | 4 | 3 | 7 | 4.4 | Cc1nnc(C2(C3CCCO3)N[C@@H](c3nc(-c4ccc(F)c(C)n4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | nan | |||
| 127030229 | 138518 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 4 | 3 | 4 | 4.9 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775031 | 138518 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 428 | 4 | 3 | 4 | 4.9 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| 122179450 | 121447 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 422 | 3 | 3 | 2 | 5.8 | CC1(c2ccccc2)N[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500514w | |||
| CHEMBL3582310 | 121447 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 422 | 3 | 3 | 2 | 5.8 | CC1(c2ccccc2)N[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500514w | |||
| 122179465 | 121463 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 509 | 5 | 3 | 8 | 4.0 | CCc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | 10.1021/ml500514w | |||
| CHEMBL3582325 | 121463 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 509 | 5 | 3 | 8 | 4.0 | CCc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | 10.1021/ml500514w | |||
| 122179472 | 121470 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 6 | 3 | 9 | 3.9 | CCn1cc([C@@]2(c3nnc(N(C)C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582332 | 121470 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 6 | 3 | 9 | 3.9 | CCn1cc([C@@]2(c3nnc(N(C)C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 71457622 | 83653 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| CHEMBL2204931 | 83653 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| 118710526 | 113696 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| CHEMBL3323075 | 113696 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 561 | 6 | 3 | 7 | 5.2 | CCOC(=O)c1ccnc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 | 10.1021/ml500028c | |||
| CHEMBL1907758 | 209068 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| 122179464 | 121462 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | 10.1021/ml500514w | |||
| CHEMBL3582324 | 121462 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1 | 10.1021/ml500514w | |||
| 122179482 | 121482 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 569 | 7 | 4 | 10 | 2.7 | CCn1cc([C@@]2(c3nn(CC(=O)O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582343 | 121482 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 569 | 7 | 4 | 10 | 2.7 | CCn1cc([C@@]2(c3nn(CC(=O)O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL2372713 | 210284 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm0100281 | |||||
| 25188496 | 12535 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1186630 | 12535 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL473160 | 12535 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| 118719275 | 115481 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL3351044 | 115481 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL2371070 | 210008 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@@H](C(=O)c2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | |||||
| 25188218 | 12564 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | |||
| CHEMBL1186753 | 12564 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | |||
| CHEMBL476240 | 12564 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | |||
| CHEMBL3349675 | 211458 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970730q | |||||
| 118710537 | 113708 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323087 | 113708 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| 42637632 | 60275 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL174206 | 60275 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| 127030531 | 138578 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 4 | 3 | 4 | 5.8 | FC(F)(F)Oc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775456 | 138578 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 4 | 3 | 4 | 5.8 | FC(F)(F)Oc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| 68306176 | 130556 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 473 | 6 | 3 | 7 | 4.0 | CCOC[C@]1(c2nnc(C)o2)N[C@@H](c2nc(-c3ccc(F)cn3)c[nH]2)Cc2c1[nH]c1ccccc21 | nan | |||
| CHEMBL3680934 | 130556 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 473 | 6 | 3 | 7 | 4.0 | CCOC[C@]1(c2nnc(C)o2)N[C@@H](c2nc(-c3ccc(F)cn3)c[nH]2)Cc2c1[nH]c1ccccc21 | nan | |||
| 11678313 | 17015 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 3.6 | COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCCN)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL1254235 | 17015 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 3.6 | COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCCN)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL3349667 | 211451 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 70684550 | 76856 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 4 | 3 | 4 | 4.2 | CS(=O)(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL2069511 | 76856 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 4 | 3 | 4 | 4.2 | CS(=O)(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL438630 | 213784 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049519m | |||||
| CHEMBL412624 | 213011 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| 118718854 | 115416 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL3350354 | 115416 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL3350907 | 211526 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@@H](C(=O)c2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | |||||
| CHEMBL505496 | 214193 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1SS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 70690870 | 76849 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 384 | 3 | 3 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL2069504 | 76849 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 384 | 3 | 3 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| 44560863 | 188306 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1346 | 22 | 16 | 19 | -0.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc([N+](=O)[O-])cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL500477 | 188306 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1346 | 22 | 16 | 19 | -0.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc([N+](=O)[O-])cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL455435 | 214003 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSCC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm701445q | |||||
| 44368398 | 10266 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL1161331 | 10266 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1196 | 16 | 15 | 16 | -0.2 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| 42637283 | 195514 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL553672 | 195514 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL3349671 | 211454 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 127033873 | 138521 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2nc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)c[nH]2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775037 | 138521 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2nc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)c[nH]2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| 90663869 | 106737 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1424 | 23 | 18 | 21 | -2.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCS[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| CHEMBL3144281 | 106737 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1424 | 23 | 18 | 21 | -2.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CCS[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| 122179467 | 121465 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 5 | 4 | 9 | 3.6 | CCn1cc([C@@]2(c3nnc(O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582327 | 121465 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 5 | 4 | 9 | 3.6 | CCn1cc([C@@]2(c3nnc(O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3349616 | 211442 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970730q | |||||
| 122179470 | 121468 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 496 | 4 | 4 | 9 | 3.0 | Cn1cc([C@@]2(c3nnc(N)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582330 | 121468 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 496 | 4 | 4 | 9 | 3.0 | Cn1cc([C@@]2(c3nnc(N)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 25189325 | 12446 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1186056 | 12446 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL447455 | 12446 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL524870 | 215625 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SS[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL448431 | 213957 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| 52948630 | 17005 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 3.6 | COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCCN)[C@H](OCc2ccc(Cl)cc2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL1254140 | 17005 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 542 | 12 | 3 | 7 | 3.6 | COC[C@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCCN)[C@H](OCc2ccc(Cl)cc2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL385811 | 212368 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||||
| CHEMBL414749 | 213153 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| CHEMBL1909006 | 209075 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | |||||
| CHEMBL538948 | 209075 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | |||||
| 25188780 | 12431 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 489 | 10 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1185941 | 12431 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 489 | 10 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL442605 | 12431 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 489 | 10 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL386784 | 212392 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | |||||
| CHEMBL3349612 | 211439 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL3350885 | 211508 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@H](C)c2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| CHEMBL525397 | 215645 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSS[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 122179455 | 121452 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 3 | 3 | 4 | 4.9 | c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3 | 10.1021/ml500514w | |||
| CHEMBL3582315 | 121452 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 3 | 3 | 4 | 4.9 | c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3 | 10.1021/ml500514w | |||
| 44388123 | 169186 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1681 | 21 | 18 | 21 | 0.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||
| CHEMBL440618 | 169186 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1681 | 21 | 18 | 21 | 0.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||
| CHEMBL3349598 | 211427 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm970730q | |||||
| 25187681 | 12469 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 613 | 11 | 4 | 4 | 5.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1186190 | 12469 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 613 | 11 | 4 | 4 | 5.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL453412 | 12469 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 613 | 11 | 4 | 4 | 5.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL509192 | 215334 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(N)=O)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL376703 | 212254 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm060363v | |||||
| CHEMBL3350895 | 211517 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||||
| 127033871 | 138631 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.2 | Cc1[nH]c([C@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCOCC3)N2)nc1-c1ccccc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775846 | 138631 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.2 | Cc1[nH]c([C@H]2Cc3c([nH]c4ccccc34)[C@@H](C3CCOCC3)N2)nc1-c1ccccc1 | 10.1016/j.bmcl.2016.02.022 | |||
| 11159133 | 115462 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||
| CHEMBL3350904 | 115462 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||
| CHEMBL261895 | 210520 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL505128 | 214188 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL501776 | 214144 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL2371051 | 210004 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL1824056 | 209040 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | |||||
| 127034428 | 138526 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775061 | 138526 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| 71462984 | 83663 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| CHEMBL2204942 | 83663 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| CHEMBL555737 | 215731 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | |||||
| CHEMBL2111200 | 209215 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| 127034125 | 138612 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.1 | CC1(c2nc(-c3ccccc3)c[nH]2)Cc2c([nH]c3ccccc23)C(C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775729 | 138612 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 3 | 3 | 3 | 5.1 | CC1(c2nc(-c3ccccc3)c[nH]2)Cc2c([nH]c3ccccc23)C(C2CCOCC2)N1 | 10.1016/j.bmcl.2016.02.022 | |||
| 162651887 | 180271 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
| CHEMBL4750625 | 180271 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
| CHEMBL414446 | 213131 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL446077 | 213943 | 0 | None | -9 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CNCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm701618q | |||||
| 91936728 | 161727 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | |||||
| CHEMBL413647 | 161727 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040794i | |||||
| CHEMBL413419 | 213065 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||||
| CHEMBL1909004 | 209074 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | |||||
| CHEMBL559022 | 209074 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | |||||
| CHEMBL263340 | 210568 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| CHEMBL3349674 | 211457 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm970730q | |||||
| CHEMBL410144 | 212801 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||||
| 11343811 | 115461 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||
| CHEMBL3350903 | 115461 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||
| CHEMBL3350909 | 211528 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | |||||
| 70690870 | 76849 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 384 | 3 | 3 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL2069504 | 76849 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 384 | 3 | 3 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| 70697099 | 76854 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 397 | 3 | 4 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCNCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL2069509 | 76854 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 397 | 3 | 4 | 3 | 4.5 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCNCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL405784 | 212579 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| 11642413 | 17100 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.9 | CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | |||
| CHEMBL1254967 | 17100 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.9 | CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | |||
| 127030530 | 138560 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 482 | 4 | 3 | 4 | 5.8 | FC(F)(F)Oc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775316 | 138560 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 482 | 4 | 3 | 4 | 5.8 | FC(F)(F)Oc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3349505 | 211410 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm970730q | |||||
| CHEMBL3349672 | 211455 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 11457521 | 115459 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||
| CHEMBL3350892 | 115459 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||
| CHEMBL447177 | 213948 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(NC(N)=O)cc2)C(=O)NCC(=O)O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL3350357 | 211475 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL2371108 | 210013 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | |||||
| CHEMBL3349678 | 211461 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| 42637069 | 195509 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL553655 | 195509 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||
| CHEMBL504248 | 214175 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CCSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| CHEMBL504462 | 214179 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 16738359 | 137183 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL374833 | 137183 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL453938 | 137183 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | |||
| 16738359 | 137183 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | |||
| CHEMBL374833 | 137183 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | |||
| CHEMBL453938 | 137183 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | |||
| CHEMBL407649 | 212674 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| 70682466 | 76853 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 3 | 3 | 4 | 6.1 | CC(C)(C)OC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL2069508 | 76853 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 3 | 3 | 4 | 6.1 | CC(C)(C)OC(=O)N1CCC(C2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)CC1 | 10.1021/ml200272z | |||
| CHEMBL1907758 | 209068 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030243c | |||||
| CHEMBL504457 | 214177 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | |||||
| 71457622 | 83653 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| CHEMBL2204931 | 83653 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 412 | 3 | 3 | 4 | 4.4 | Cn1cc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml300063m | |||
| 122179468 | 121466 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 527 | 5 | 4 | 9 | 4.2 | CCn1cc([C@@]2(c3nnc(S)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582328 | 121466 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 527 | 5 | 4 | 9 | 4.2 | CCn1cc([C@@]2(c3nnc(S)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 118710536 | 113707 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3323086 | 113707 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL1908982 | 209071 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | |||||
| CHEMBL552988 | 209071 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | |||||
| CHEMBL438776 | 213798 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| CHEMBL554624 | 215726 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | |||||
| 118710533 | 113704 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323083 | 113704 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cc(C(=O)O)ccn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| 118718854 | 115416 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL3350354 | 115416 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1152 | 13 | 13 | 16 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | |||
| CHEMBL3350902 | 211523 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](C(=O)c2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | |||||
| CHEMBL3349614 | 211441 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | |||||
| 127030548 | 138502 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 433 | 3 | 3 | 4 | 5.0 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774909 | 138502 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 433 | 3 | 3 | 4 | 5.0 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)nc1 | 10.1016/j.bmcl.2016.02.022 | |||
| 118710532 | 113702 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL3323081 | 113702 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 533 | 5 | 4 | 6 | 4.7 | Cn1cc([C@]2(c3cccc(C(=O)O)n3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500028c | |||
| CHEMBL1824058 | 209042 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | |||||
| CHEMBL3350888 | 211511 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030246p | |||||
| CHEMBL3350888 | 211511 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | |||||
| 71460000 | 79659 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1644 | 25 | 18 | 20 | 1.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)CCc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||
| CHEMBL2115143 | 79659 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1644 | 25 | 18 | 20 | 1.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)CCc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||
| 90663873 | 106739 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1498 | 23 | 21 | 25 | -5.1 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| CHEMBL3144283 | 106739 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1498 | 23 | 21 | 25 | -5.1 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| CHEMBL3144285 | 106739 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1498 | 23 | 21 | 25 | -5.1 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| 59411406 | 121476 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc(C2(c3nn(C)c(=O)o3)NC(c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582338 | 121476 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc(C2(c3nn(C)c(=O)o3)NC(c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| 156009460 | 178225 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1667 | 22 | 20 | 21 | 0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | |||
| CHEMBL4649897 | 178225 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1667 | 22 | 20 | 21 | 0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | |||
| 11389178 | 115460 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||
| CHEMBL3350900 | 115460 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | |||
| 127031771 | 138514 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 400 | 3 | 3 | 5 | 3.7 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775018 | 138514 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 400 | 3 | 3 | 5 | 3.7 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| 127031773 | 138510 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 405 | 3 | 3 | 5 | 4.4 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2cscn2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774986 | 138510 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 405 | 3 | 3 | 5 | 4.4 | c1ccc2c3c([nH]c2c1)[C@@H](C1CCOCC1)N[C@@H](c1nc(-c2cscn2)c[nH]1)C3 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL559150 | 215744 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | |||||
| CHEMBL265836 | 210666 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049519m | |||||
| 127031432 | 138566 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 429 | 4 | 3 | 5 | 4.3 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775387 | 138566 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 429 | 4 | 3 | 5 | 4.3 | COc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)n1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL262379 | 210538 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm049520l | |||||
| 127031454 | 138495 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 432 | 3 | 3 | 3 | 5.6 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774866 | 138495 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 432 | 3 | 3 | 3 | 5.6 | Clc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1016/j.bmcl.2016.02.022 | |||
| 71452297 | 83655 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204933 | 83655 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| 127031154 | 138488 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3774817 | 138488 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 416 | 3 | 3 | 3 | 5.1 | Fc1cccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)c1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3350911 | 211529 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | |||||
| 44560905 | 188826 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1335 | 21 | 16 | 17 | -0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL506326 | 188826 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1335 | 21 | 16 | 17 | -0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| 57384077 | 76847 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL2069502 | 76847 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| 57384077 | 76847 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | |||
| CHEMBL2069502 | 76847 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 398 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)n2)cc1 | 10.1021/ml300063m | |||
| CHEMBL437451 | 213720 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm010037+ | |||||
| CHEMBL2011461 | 209109 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 10.1021/ml200032v | |||||
| CHEMBL3349610 | 211437 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(C)(C)SSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | |||||
| 90663874 | 106740 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1660 | 26 | 24 | 30 | -7.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| CHEMBL3144286 | 106740 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1660 | 26 | 24 | 30 | -7.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| CHEMBL3144291 | 106740 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1660 | 26 | 24 | 30 | -7.3 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC[C@]2(O)OC[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@@H]2O)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O | 10.1021/jm040794i | |||
| CHEMBL2111200 | 209215 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | |||||
| 44560866 | 188877 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1204 | 18 | 12 | 14 | 1.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](N(C)C(=O)c2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL507148 | 188877 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1204 | 18 | 12 | 14 | 1.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](N(C)C(=O)c2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| 52941607 | 17025 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 522 | 13 | 3 | 7 | 2.9 | COC[C@H]1O[C@H](OCCc2ccccc2)[C@H](NC(=O)CCCN)[C@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| CHEMBL1254321 | 17025 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 522 | 13 | 3 | 7 | 2.9 | COC[C@H]1O[C@H](OCCc2ccccc2)[C@H](NC(=O)CCCN)[C@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | |||
| 162646037 | 179514 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
| CHEMBL4741230 | 179514 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | |||
| 44560873 | 189147 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1809 | 40 | 18 | 25 | -1.0 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| CHEMBL510793 | 189147 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1809 | 40 | 18 | 25 | -1.0 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||
| 158782 | 157834 | 20 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1421 | 26 | 17 | 22 | -3.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm040794i | |||
| CHEMBL408350 | 157834 | 20 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1421 | 26 | 17 | 22 | -3.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O | 10.1021/jm040794i | |||
| 137062183 | 121460 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 497 | 4 | 4 | 9 | 3.1 | Cn1cc([C@@]2(c3noc(O)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3582322 | 121460 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 497 | 4 | 4 | 9 | 3.1 | Cn1cc([C@@]2(c3noc(O)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | |||
| CHEMBL3349508 | 211413 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm970730q | |||||
| 49865342 | 15908 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1147 | 20 | 12 | 13 | 2.2 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C/C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | |||
| CHEMBL1223227 | 15908 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1147 | 20 | 12 | 13 | 2.2 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C/C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | |||
| CHEMBL3350896 | 211518 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030246p | |||||
| CHEMBL3350896 | 211518 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | |||||
| 25187955 | 12436 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 646 | 9 | 4 | 4 | 4.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1185951 | 12436 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 646 | 9 | 4 | 4 | 4.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O | 10.1021/jm801205x | |||
| CHEMBL443084 | 12436 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 646 | 9 | 4 | 4 | 4.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O | 10.1021/jm801205x | |||
| 71452297 | 83655 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| CHEMBL2204933 | 83655 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 414 | 3 | 3 | 5 | 4.4 | Cc1nc([C@@H]2N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1021/ml300063m | |||
| 127034426 | 138616 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 477 | 4 | 3 | 8 | 3.6 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL3775760 | 138616 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 477 | 4 | 3 | 8 | 3.6 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccccn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | |||
| CHEMBL406373 | 212606 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | |||||
| CHEMBL501282 | 214136 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| 44388122 | 82143 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||
| CHEMBL216789 | 82143 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||
| CHEMBL3349665 | 211449 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | |||||
| CHEMBL438285 | 213764 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | |||||
| 25188776 | 12482 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL1186427 | 12482 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| CHEMBL462020 | 12482 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | |||
| 49865347 | 15913 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1197 | 20 | 12 | 13 | 3.4 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | |||
| CHEMBL1223232 | 15913 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1197 | 20 | 12 | 13 | 3.4 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | |||
| 13690207 | 115382 | 0 | None | -30 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm050376t | |||
| CHEMBL3350037 | 115382 | 0 | None | -30 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm050376t | |||
| CHEMBL3349608 | 211436 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm970730q | |||||
| CHEMBL412029 | 212972 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(N)=O)C(=O)N[C@@H](Cc2ccc(NC(N)=O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm060363v | |||||
| 44388124 | 159370 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1680 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||
| CHEMBL410048 | 159370 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1680 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | |||
| CHEMBL436892 | 213692 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CONC(=O)Nc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(N)=O)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm060363v | |||||
| CHEMBL498985 | 214089 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL413378 | 213063 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | |||||
| CHEMBL2011463 | 209111 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C1=O | 10.1021/ml200032v | |||||
| CHEMBL3122124 | 211103 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | |||||
| CHEMBL3350882 | 211505 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 10.5 | pKd | = | 10.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 10.5 | pKd | = | 10.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 10.5 | pKd | = | 10.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | |||||
| 46880584 | 5538 | 0 | None | 758 | 2 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076621 | 5538 | 0 | None | 758 | 2 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880582 | 5549 | 0 | None | 295 | 2 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076659 | 5549 | 0 | None | 295 | 2 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| 20597810 | 5559 | 0 | None | 245 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 547 | 6 | 0 | 5 | 5.2 | C[C@@H](Cc1ccc2nccnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076709 | 5559 | 0 | None | 245 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 547 | 6 | 0 | 5 | 5.2 | C[C@@H](Cc1ccc2nccnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880578 | 5545 | 0 | None | 83 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCC[C@H]2[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076655 | 5545 | 0 | None | 83 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCC[C@H]2[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880853 | 5565 | 0 | None | 147 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 536 | 6 | 0 | 5 | 5.4 | C[C@@H](Cc1ccc2ocnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076718 | 5565 | 0 | None | 147 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 536 | 6 | 0 | 5 | 5.4 | C[C@@H](Cc1ccc2ocnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 44564783 | 176925 | 0 | None | -1479 | 4 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 484 | 8 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL461988 | 176925 | 0 | None | -1479 | 4 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 484 | 8 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880590 | 5540 | 0 | None | -2 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 549 | 6 | 0 | 5 | 5.2 | Cc1cn2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2n1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076627 | 5540 | 0 | None | -2 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 549 | 6 | 0 | 5 | 5.2 | Cc1cn2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2n1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880581 | 5548 | 0 | None | 21 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076658 | 5548 | 0 | None | 21 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880819 | 5562 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 556 | 6 | 0 | 8 | 4.0 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nccnc4n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076715 | 5562 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 556 | 6 | 0 | 8 | 4.0 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nccnc4n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL407209 | 212647 | 1 | None | -17 | 4 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| CHEMBL408752 | 212730 | 0 | None | -77 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| 46880579 | 5546 | 0 | None | 5 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCC[C@H]2[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076656 | 5546 | 0 | None | 5 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCC[C@H]2[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880573 | 6096 | 0 | None | 1 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 510 | 6 | 0 | 5 | 5.2 | O=C(C1CCCN(CCC2c3ccccc3-c3ccccc32)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1080733 | 6096 | 0 | None | 1 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 510 | 6 | 0 | 5 | 5.2 | O=C(C1CCCN(CCC2c3ccccc3-c3ccccc32)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2010.01.063 | |||
| 44565112 | 12759 | 0 | None | -1621 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL1187847 | 12759 | 0 | None | -1621 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL523814 | 12759 | 0 | None | -1621 | 6 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 46880576 | 5543 | 0 | None | 1 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076653 | 5543 | 0 | None | 1 | 2 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL265636 | 210658 | 0 | None | -8 | 4 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N(C)[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm000361p | |||||
| 46880822 | 7492 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 543 | 6 | 0 | 7 | 4.3 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nccn34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1087113 | 7492 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 543 | 6 | 0 | 7 | 4.3 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nccn34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL405421 | 212560 | 0 | None | -12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| 46880781 | 5556 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 555 | 6 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nccnc34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076692 | 5556 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 555 | 6 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nccnc34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880855 | 5560 | 0 | None | 165 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 540 | 8 | 0 | 5 | 5.0 | CCOc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076710 | 5560 | 0 | None | 165 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 540 | 8 | 0 | 5 | 5.0 | CCOc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880577 | 5544 | 0 | None | 3 | 2 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076654 | 5544 | 0 | None | 3 | 2 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880820 | 5567 | 0 | None | - | 1 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 556 | 6 | 0 | 8 | 4.0 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cc4nccnc4cn3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076720 | 5567 | 0 | None | - | 1 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 556 | 6 | 0 | 8 | 4.0 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cc4nccnc4cn3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880575 | 5542 | 0 | None | 3 | 2 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076652 | 5542 | 0 | None | 3 | 2 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmcl.2010.01.063 | |||
| 44565159 | 194891 | 0 | None | -5011 | 5 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL540705 | 194891 | 0 | None | -5011 | 5 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL384836 | 212337 | 0 | None | 1 | 5 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C)C(N)=O | 10.1021/jm000361p | |||||
| CHEMBL407571 | 212669 | 0 | None | -17 | 4 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | None | None | None | CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm000361p | |||||
| CHEMBL385409 | 212349 | 0 | None | -1 | 4 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| 46880783 | 6375 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 546 | 6 | 0 | 9 | 3.6 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nonc4n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1082179 | 6375 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 546 | 6 | 0 | 9 | 3.6 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nonc4n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 155544425 | 173382 | 0 | None | -912 | 5 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1785 | 27 | 15 | 26 | 3.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 | 10.1021/acs.jmedchem.8b02036 | |||
| CHEMBL4527856 | 173382 | 0 | None | -912 | 5 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1785 | 27 | 15 | 26 | 3.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 | 10.1021/acs.jmedchem.8b02036 | |||
| 46880782 | 6374 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 545 | 6 | 0 | 8 | 4.2 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nonc4c3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1082178 | 6374 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 545 | 6 | 0 | 8 | 4.2 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nonc4c3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880780 | 6308 | 0 | None | - | 1 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 561 | 6 | 0 | 8 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nsnc34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1081836 | 6308 | 0 | None | - | 1 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 561 | 6 | 0 | 8 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nsnc34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880637 | 6104 | 0 | None | - | 1 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 521 | 6 | 0 | 5 | 4.8 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1080754 | 6104 | 0 | None | - | 1 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 521 | 6 | 0 | 5 | 4.8 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880583 | 5537 | 0 | None | 194 | 2 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(C[C@@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076620 | 5537 | 0 | None | 194 | 2 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(C[C@@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL405561 | 212566 | 0 | None | 3 | 4 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| 46880580 | 5547 | 0 | None | 346 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2CC3CCCCC3C(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076657 | 5547 | 0 | None | 346 | 2 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2CC3CCCCC3C(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880639 | 6227 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.0 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1081442 | 6227 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.0 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 44447073 | 94550 | 0 | None | -6309 | 10 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL251835 | 94550 | 0 | None | -6309 | 10 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 46880821 | 7477 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 544 | 6 | 0 | 8 | 3.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1086988 | 7477 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 544 | 6 | 0 | 8 | 3.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880735 | 5936 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 534 | 6 | 0 | 7 | 3.4 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc(=O)n3C)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1079799 | 5936 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 534 | 6 | 0 | 7 | 3.4 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc(=O)n3C)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880851 | 7675 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 544 | 6 | 0 | 8 | 3.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nncn34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1088611 | 7675 | 0 | None | - | 1 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 544 | 6 | 0 | 8 | 3.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nncn34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 10162564 | 12540 | 0 | None | -4677 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL1186652 | 12540 | 0 | None | -4677 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL473763 | 12540 | 0 | None | -4677 | 8 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| 46880856 | 5561 | 0 | None | 66 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 539 | 8 | 1 | 5 | 5.1 | CCNc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076711 | 5561 | 0 | None | 66 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 539 | 8 | 1 | 5 | 5.1 | CCNc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| 17955460 | 176775 | 0 | None | -3630 | 9 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 491 | 7 | 0 | 4 | 5.3 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL460542 | 176775 | 0 | None | -3630 | 9 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 491 | 7 | 0 | 4 | 5.3 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | |||
| CHEMBL2370168 | 209807 | 0 | None | -58 | 5 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | |||||
| 9849682 | 94952 | 0 | None | -14454 | 10 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL254500 | 94952 | 0 | None | -14454 | 10 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL413373 | 213062 | 0 | None | 3 | 4 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | None | None | None | CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm000361p | |||||
| 46865535 | 5539 | 0 | None | 67 | 7 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 550 | 6 | 0 | 5 | 5.7 | Cc1nc2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2o1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076622 | 5539 | 0 | None | 67 | 7 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 550 | 6 | 0 | 5 | 5.7 | Cc1nc2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2o1 | 10.1016/j.bmcl.2010.01.063 | |||
| 44564857 | 178938 | 0 | None | -6 | 4 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 524 | 10 | 0 | 5 | 5.5 | O=C(CCN(CCC1c2ccccc2-c2ccccc21)CC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL470331 | 178938 | 0 | None | -6 | 4 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 524 | 10 | 0 | 5 | 5.5 | O=C(CCN(CCC1c2ccccc2-c2ccccc21)CC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880682 | 6302 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 504 | 6 | 0 | 6 | 4.1 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1081804 | 6302 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 504 | 6 | 0 | 6 | 4.1 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL2370166 | 209805 | 0 | None | -38 | 5 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccccc1)N1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C1=O | 10.1021/jm970393l | |||||
| 46880854 | 5566 | 0 | None | 263 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 536 | 6 | 0 | 6 | 4.3 | C[C@@H](Cc1ccc2ncnn2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076719 | 5566 | 0 | None | 263 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 536 | 6 | 0 | 6 | 4.3 | C[C@@H](Cc1ccc2ncnn2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880588 | 14217 | 0 | None | -5 | 7 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076625 | 14217 | 0 | None | -5 | 7 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1198974 | 14217 | 0 | None | -5 | 7 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| 9871544 | 14216 | 3 | None | 1 | 11 | Mouse | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076624 | 14216 | 3 | None | 1 | 11 | Mouse | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1198948 | 14216 | 3 | None | 1 | 11 | Mouse | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL2370167 | 209806 | 0 | None | -190 | 5 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | |||||
| 46880683 | 6303 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 538 | 6 | 0 | 6 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc(Cl)n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1081805 | 6303 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 538 | 6 | 0 | 6 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc(Cl)n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL409019 | 212742 | 0 | None | -1 | 5 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C)C(N)=O | 10.1021/jm000361p | |||||
| CHEMBL437093 | 213705 | 0 | None | -7 | 5 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| CHEMBL411017 | 212858 | 0 | None | -3 | 4 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| CHEMBL421362 | 213274 | 0 | None | -151 | 5 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | |||||
| CHEMBL413830 | 213089 | 0 | None | -20 | 5 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N(C)[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm000361p | |||||
| 44447077 | 94616 | 0 | None | -12 | 7 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL252231 | 94616 | 0 | None | -12 | 7 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 46880638 | 6226 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 521 | 6 | 0 | 5 | 4.8 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1081441 | 6226 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 521 | 6 | 0 | 5 | 4.8 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL412466 | 212992 | 0 | None | -36 | 4 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| 9871544 | 14216 | 3 | None | -1 | 11 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076624 | 14216 | 3 | None | -1 | 11 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1198948 | 14216 | 3 | None | -1 | 11 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46865536 | 11919 | 0 | None | 19 | 7 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076623 | 11919 | 0 | None | 19 | 7 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1182658 | 11919 | 0 | None | 19 | 7 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 44447078 | 94617 | 0 | None | -39 | 7 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| CHEMBL252232 | 94617 | 0 | None | -39 | 7 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | |||
| 46880685 | 5554 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 572 | 6 | 0 | 6 | 5.1 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076686 | 5554 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 572 | 6 | 0 | 6 | 5.1 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880734 | 5935 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 529 | 6 | 0 | 7 | 3.9 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1079798 | 5935 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 529 | 6 | 0 | 7 | 3.9 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL438471 | 213773 | 0 | None | 6 | 4 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| 46880852 | 5564 | 0 | None | 107 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.0 | C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1076717 | 5564 | 0 | None | 107 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.0 | C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL384164 | 212318 | 0 | None | -63 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| 46880574 | 6097 | 0 | None | 1 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 494 | 7 | 0 | 7 | 3.6 | CC(Cc1ccc2c(c1)OCO2)CN1CCCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1080734 | 6097 | 0 | None | 1 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 494 | 7 | 0 | 7 | 3.6 | CC(Cc1ccc2c(c1)OCO2)CN1CCCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 2030 | 3672 | 10 | None | -12302 | 10 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | |||
| 5311377 | 3672 | 10 | None | -12302 | 10 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | |||
| CHEMBL251541 | 3672 | 10 | None | -12302 | 10 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | |||
| 46880736 | 5971 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 545 | 6 | 0 | 8 | 4.2 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nonc34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1079969 | 5971 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 545 | 6 | 0 | 8 | 4.2 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3cccc4nonc34)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 46880684 | 6304 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 538 | 6 | 0 | 6 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1081806 | 6304 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 538 | 6 | 0 | 6 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL386676 | 212386 | 0 | None | -2 | 4 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | |||||
| 46880818 | 7476 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 562 | 6 | 0 | 9 | 4.1 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| CHEMBL1086987 | 7476 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 562 | 6 | 0 | 9 | 4.1 | CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | |||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0108449 | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0108449 | |||||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/s0960-894x(01)00107-x | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/s0960-894x(01)00107-x | |||||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349606 | 211435 | 0 | None | -3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | CN(C)CCNC(=O)O[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 | 10.1021/jm021093t | |||||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | |||||
| CHEMBL1823873 | 209032 | 9 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | |||||
| CHEMBL3349516 | 211417 | 0 | None | -7 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349517 | 211418 | 0 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349521 | 211421 | 0 | None | -5 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349605 | 211434 | 0 | None | -2 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | |||||
| 2070 | 697 | 5 | None | 3467 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/ml200272z | |||
| 9802572 | 697 | 5 | None | 3467 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/ml200272z | |||
| CHEMBL2069499 | 697 | 5 | None | 3467 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/ml200272z | |||
| 11112736 | 16529 | 0 | None | 3090 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500079u | |||
| CHEMBL1237140 | 16529 | 0 | None | 3090 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500079u | |||
| CHEMBL1788167 | 16529 | 0 | None | 3090 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/ml500079u | |||
| 2070 | 697 | 5 | None | 3467 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | |||
| 9802572 | 697 | 5 | None | 3467 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | |||
| CHEMBL2069499 | 697 | 5 | None | 3467 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | |||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm020424z | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm020424z | |||||
| CHEMBL408362 | 212710 | 0 | None | -16 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm980194h | |||||
| 11112736 | 16529 | 0 | None | 3090 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL1237140 | 16529 | 0 | None | 3090 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL1788167 | 16529 | 0 | None | 3090 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| 2018 | 3007 | 28 | None | -6 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| 9941444 | 3007 | 28 | None | -6 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL3349607 | 3007 | 28 | None | -6 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| DB06663 | 3007 | 28 | None | -6 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL3349522 | 211422 | 0 | None | -5 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349601 | 211430 | 0 | None | -1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349602 | 211431 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | |||||
| 90644992 | 111826 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 426 | 5 | 2 | 2 | 6.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 | 10.1021/ml500079u | |||
| CHEMBL3287628 | 111826 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 426 | 5 | 2 | 2 | 6.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 | 10.1021/ml500079u | |||
| 73348312 | 89238 | 0 | None | 4897 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 410 | 3 | 3 | 2 | 6.2 | CC1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL2367844 | 89238 | 0 | None | 4897 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 410 | 3 | 3 | 2 | 6.2 | CC1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| 91809303 | 125778 | 0 | None | -2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1659 | 28 | 18 | 16 | 3.8 | CC(=O)N(CCC(=O)N[C@@H](CN[C@@H]1CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)Cc1ccc(O)cc1)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | |||
| CHEMBL3647702 | 125778 | 0 | None | -2 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1659 | 28 | 18 | 16 | 3.8 | CC(=O)N(CCC(=O)N[C@@H](CN[C@@H]1CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)Cc1ccc(O)cc1)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | |||
| 73348311 | 89232 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 454 | 10 | 3 | 2 | 7.8 | CCCCCC1(CCCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL2367837 | 89232 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 454 | 10 | 3 | 2 | 7.8 | CCCCCC1(CCCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| 16129706 | 209031 | 40 | None | -4 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL1823872 | 209031 | 40 | None | -4 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm050376t | |||||
| CHEMBL1794035 | 208937 | 0 | None | -4 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm0005048 | |||||
| CHEMBL442494 | 213913 | 0 | None | -4 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm0005048 | |||||
| 122186640 | 122882 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 359 | 7 | 2 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCCCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605798 | 122882 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 359 | 7 | 2 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCCCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 91809276 | 125753 | 0 | None | -4 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1620 | 27 | 18 | 16 | 4.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | |||
| CHEMBL3647677 | 125753 | 0 | None | -4 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1620 | 27 | 18 | 16 | 4.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | |||
| CHEMBL3349524 | 211423 | 0 | None | -2 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349599 | 211428 | 0 | None | -5 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | |||||
| 11069321 | 76845 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| CHEMBL2069500 | 76845 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/ml200272z | |||
| 44332931 | 4625 | 0 | None | 1047 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/jm0108449 | |||
| CHEMBL102892 | 4625 | 0 | None | 1047 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/jm0108449 | |||
| CHEMBL1201959 | 4625 | 0 | None | 1047 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/jm0108449 | |||
| CHEMBL3349603 | 211432 | 0 | None | -3 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | NCCCCCNC(=O)O[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 | 10.1021/jm021093t | |||||
| 91809275 | 125752 | 0 | None | -89 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1603 | 27 | 18 | 17 | 3.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| CHEMBL3647676 | 125752 | 0 | None | -89 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1603 | 27 | 18 | 17 | 3.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| 44397389 | 124044 | 0 | None | -58 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL363092 | 124044 | 0 | None | -58 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL2372961 | 210327 | 0 | None | -8 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | |||||
| CHEMBL2369733 | 209661 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N(C)[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| CHEMBL2369759 | 209677 | 0 | None | -1 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)C(N)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| CHEMBL3349515 | 211416 | 0 | None | -12 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349525 | 211424 | 0 | None | -10 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| 44377591 | 55633 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 536 | 9 | 3 | 6 | 5.6 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL162140 | 55633 | 0 | None | -4 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 536 | 9 | 3 | 6 | 5.6 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| 90644987 | 111819 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 397 | 8 | 2 | 3 | 4.5 | CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287619 | 111819 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 397 | 8 | 2 | 3 | 4.5 | CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | |||
| CHEMBL384607 | 212333 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(C#N)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(C#N)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL385745 | 212363 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 73346796 | 89233 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 370 | 4 | 3 | 2 | 5.5 | CCC1(CC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL2367838 | 89233 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 370 | 4 | 3 | 2 | 5.5 | CCC1(CC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| 73355920 | 89234 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 384 | 6 | 3 | 2 | 6.1 | CCCCCC1N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL2367839 | 89234 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 384 | 6 | 3 | 2 | 6.1 | CCCCCC1N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL413171 | 213051 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 142471801 | 192299 | 0 | None | -616 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 494 | 9 | 2 | 5 | 5.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL5206148 | 192299 | 0 | None | -616 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 494 | 9 | 2 | 5 | 5.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL2311098 | 209505 | 0 | None | -8 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| CHEMBL2372956 | 210322 | 0 | None | -21 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | |||||
| CHEMBL407195 | 212646 | 0 | None | -6 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 122186655 | 122897 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 5 | 2 | 3 | 4.2 | Cc1ccc(-c2c[nH]c(C3(NCC4CCOCC4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605813 | 122897 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 5 | 2 | 3 | 4.2 | Cc1ccc(-c2c[nH]c(C3(NCC4CCOCC4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 71458043 | 78903 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 4.3 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL2112934 | 78903 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 4.3 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL414598 | 213146 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL421362 | 213274 | 0 | None | -151 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL406738 | 212618 | 0 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 90644975 | 111840 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 384 | 5 | 2 | 3 | 4.7 | O=C(O[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 | 10.1021/ml500079u | |||
| CHEMBL3287646 | 111840 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 384 | 5 | 2 | 3 | 4.7 | O=C(O[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 | 10.1021/ml500079u | |||
| CHEMBL421362 | 213274 | 0 | None | -151 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | |||||
| 44363816 | 39675 | 0 | None | -354 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 589 | 14 | 3 | 5 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| CHEMBL147499 | 39675 | 0 | None | -354 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 589 | 14 | 3 | 5 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | |||
| 73354353 | 89236 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 416 | 2 | 3 | 2 | 5.4 | c1ccc(-c2c[nH]c([C@@H]3Cc4c([nH]c5ccccc45)C4(Cc5ccccc5C4)N3)n2)cc1 | 10.1021/jm0108449 | |||
| CHEMBL2367842 | 89236 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 416 | 2 | 3 | 2 | 5.4 | c1ccc(-c2c[nH]c([C@@H]3Cc4c([nH]c5ccccc45)C4(Cc5ccccc5C4)N3)n2)cc1 | 10.1021/jm0108449 | |||
| 91809283 | 125760 | 0 | None | -165 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1456 | 23 | 17 | 16 | 2.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | |||
| CHEMBL3647684 | 125760 | 0 | None | -165 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1456 | 23 | 17 | 16 | 2.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | |||
| 13690207 | 115382 | 0 | None | -30 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1039/C2MD20265D | |||
| CHEMBL3350037 | 115382 | 0 | None | -30 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1039/C2MD20265D | |||
| CHEMBL264539 | 210628 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(-c3ccccc3)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL2369754 | 209672 | 0 | None | -15 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| 122186653 | 122895 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc5ncccc5c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605811 | 122895 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 5 | 2 | 3 | 5.5 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc5ncccc5c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 44385757 | 61336 | 0 | None | 1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 461 | 6 | 4 | 2 | 6.8 | CC(C)(C)c1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL176730 | 61336 | 0 | None | 1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 461 | 6 | 4 | 2 | 6.8 | CC(C)(C)c1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| 91809288 | 125764 | 0 | None | -812 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | |||
| CHEMBL3647688 | 125764 | 0 | None | -812 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | |||
| CHEMBL2369758 | 209676 | 0 | None | -5 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| 13690207 | 115382 | 0 | None | -30 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1016/j.bmcl.2013.11.065 | |||
| CHEMBL3350037 | 115382 | 0 | None | -30 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1016/j.bmcl.2013.11.065 | |||
| 90644978 | 111843 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.6 | O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12 | 10.1021/ml500079u | |||
| CHEMBL3287649 | 111843 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.6 | O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12 | 10.1021/ml500079u | |||
| 122186625 | 122867 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 4.6 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605783 | 122867 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 4.6 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 90644994 | 111829 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 427 | 5 | 2 | 3 | 5.4 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 | 10.1021/ml500079u | |||
| CHEMBL3287630 | 111829 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 427 | 5 | 2 | 3 | 5.4 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 | 10.1021/ml500079u | |||
| CHEMBL275806 | 210823 | 0 | None | 1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)NC1=O | 10.1021/jm9806289 | |||||
| 168275406 | 190307 | 0 | None | -1412 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL5176083 | 190307 | 0 | None | -1412 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL408787 | 212732 | 0 | None | -97 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)C(c2ccccc2)c2ccccc2)NC1=O | 10.1021/jm9806289 | |||||
| 122186652 | 122894 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 2 | 2 | 6.6 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(-c5ccccc5)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605810 | 122894 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 6 | 2 | 2 | 6.6 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(-c5ccccc5)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL412859 | 213032 | 0 | None | -42 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)C(c2ccccc2)c2ccccc2)NC1=O | 10.1021/jm9806289 | |||||
| 142471936 | 191495 | 0 | None | -2290 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.5 | Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL5193727 | 191495 | 0 | None | -2290 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.5 | Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL385689 | 212359 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 90645007 | 111811 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 347 | 5 | 3 | 2 | 4.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1cc2ccccc2[nH]1)c1ccccc1 | 10.1021/ml500079u | |||
| CHEMBL3287611 | 111811 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 347 | 5 | 3 | 2 | 4.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1cc2ccccc2[nH]1)c1ccccc1 | 10.1021/ml500079u | |||
| 11049745 | 107383 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 532 | 11 | 3 | 3 | 8.6 | CCCCC1(CCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(OCc3ccccc3)cc21 | 10.1021/jm0108449 | |||
| CHEMBL317851 | 107383 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 532 | 11 | 3 | 3 | 8.6 | CCCCC1(CCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(OCc3ccccc3)cc21 | 10.1021/jm0108449 | |||
| 11705763 | 168315 | 0 | None | -446 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 484 | 10 | 2 | 7 | 5.4 | Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL434159 | 168315 | 0 | None | -446 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 484 | 10 | 2 | 7 | 5.4 | Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| 10411795 | 130619 | 0 | None | 15 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 457 | 6 | 4 | 2 | 5.9 | O=C(Nc1ccc(F)cc1F)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL368176 | 130619 | 0 | None | 15 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 457 | 6 | 4 | 2 | 5.9 | O=C(Nc1ccc(F)cc1F)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL437057 | 213703 | 0 | None | 3 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 44377555 | 57531 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 5.2 | NCCCc1nc(-c2csc3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL166247 | 57531 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 5.2 | NCCCc1nc(-c2csc3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| 90665458 | 109258 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 632 | 11 | 3 | 6 | 2.5 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | |||
| CHEMBL3218120 | 109258 | 0 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 632 | 11 | 3 | 6 | 2.5 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | |||
| CHEMBL414386 | 213129 | 0 | None | -2 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 142471832 | 190275 | 0 | None | -2454 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 471 | 8 | 3 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL5175637 | 190275 | 0 | None | -2454 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 471 | 8 | 3 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL429166 | 213509 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL264028 | 210603 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(I)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 122186624 | 122866 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 344 | 5 | 3 | 2 | 4.9 | Cc1ccc(-c2c[nH]c(C(C)(C)NCc3c[nH]c4ccccc34)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605782 | 122866 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 344 | 5 | 3 | 2 | 4.9 | Cc1ccc(-c2c[nH]c(C(C)(C)NCc3c[nH]c4ccccc34)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 2054 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| 71306 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL264186 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL3349523 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| DB04894 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL3349604 | 211433 | 0 | None | -50 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL408987 | 212740 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)CNC1=O | 10.1021/jm9806289 | |||||
| 90644998 | 111839 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 379 | 5 | 2 | 2 | 4.5 | CN(Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287643 | 111839 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 379 | 5 | 2 | 2 | 4.5 | CN(Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3349514 | 211415 | 0 | None | -10 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| CHEMBL3349600 | 211429 | 0 | None | -999 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm021093t | |||||
| 122186631 | 122873 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 374 | 5 | 3 | 2 | 5.3 | Fc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605789 | 122873 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 374 | 5 | 3 | 2 | 5.3 | Fc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 91809277 | 125754 | 0 | None | -6 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1457 | 23 | 16 | 14 | 3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | |||
| CHEMBL3647678 | 125754 | 0 | None | -6 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1457 | 23 | 16 | 14 | 3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | |||
| CHEMBL3349513 | 211414 | 0 | None | -5 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O | 10.1021/jm021093t | |||||
| 73354355 | 89240 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 4 | 3 | 4 | 5.4 | O=[N+]([O-])c1ccccc1C1N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL2367846 | 89240 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 4 | 3 | 4 | 5.4 | O=[N+]([O-])c1ccccc1C1N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| 10210016 | 60435 | 0 | None | 7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 441 | 6 | 4 | 2 | 5.7 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(F)cc1F | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL175197 | 60435 | 0 | None | 7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 441 | 6 | 4 | 2 | 5.7 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(F)cc1F | 10.1016/s0960-894x(01)00107-x | |||
| 90644985 | 111817 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 356 | 6 | 2 | 3 | 3.7 | COc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287617 | 111817 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 356 | 6 | 2 | 3 | 3.7 | COc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | |||
| 10179247 | 60464 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 5 | 3 | 3 | 5.4 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL175356 | 60464 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 402 | 5 | 3 | 3 | 5.4 | CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL2372962 | 210328 | 0 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)CS1=CCCC1 | 10.1021/jm9806289 | |||||
| 90665459 | 109259 | 0 | None | -4 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 646 | 11 | 3 | 6 | 2.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | |||
| CHEMBL3218121 | 109259 | 0 | None | -4 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 646 | 11 | 3 | 6 | 2.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | |||
| 122186647 | 122889 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 349 | 5 | 2 | 2 | 5.1 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(F)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605805 | 122889 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 349 | 5 | 2 | 2 | 5.1 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(F)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL2369760 | 209678 | 0 | None | 13 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@@H](N)CCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| CHEMBL2372963 | 210329 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(F)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | |||||
| 142471730 | 190385 | 0 | None | -2951 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.3 | FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL5177487 | 190385 | 0 | None | -2951 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.3 | FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| 90645000 | 111835 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 369 | 5 | 3 | 2 | 3.9 | O=C(N[C@H]1CCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 | 10.1021/ml500079u | |||
| CHEMBL3287636 | 111835 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 369 | 5 | 3 | 2 | 3.9 | O=C(N[C@H]1CCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 | 10.1021/ml500079u | |||
| 3156873 | 111837 | 9 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 6 | 3 | 2 | 2.8 | O=C(NCCNCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287639 | 111837 | 9 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 6 | 3 | 2 | 2.8 | O=C(NCCNCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| 90645014 | 111833 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 5 | 3 | 2 | 3.7 | O=C(N[C@H]1CCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287634 | 111833 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 5 | 3 | 2 | 3.7 | O=C(N[C@H]1CCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| 122186635 | 122877 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 371 | 5 | 3 | 3 | 4.8 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5cccnc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605793 | 122877 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 371 | 5 | 3 | 3 | 4.8 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5cccnc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 122186636 | 122878 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 400 | 6 | 3 | 3 | 5.4 | COc1cccc2c(CNC3(c4nc(-c5ccc(C)cc5)c[nH]4)CCCC3)c[nH]c12 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605794 | 122878 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 400 | 6 | 3 | 3 | 5.4 | COc1cccc2c(CNC3(c4nc(-c5ccc(C)cc5)c[nH]4)CCCC3)c[nH]c12 | 10.1016/j.bmcl.2015.06.087 | |||
| 90644980 | 111846 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 584 | 17 | 5 | 8 | 2.8 | CCCCC(NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCCN)C(=O)OC | 10.1021/ml500079u | |||
| CHEMBL3287652 | 111846 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 584 | 17 | 5 | 8 | 2.8 | CCCCC(NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCCN)C(=O)OC | 10.1021/ml500079u | |||
| 44385591 | 131387 | 0 | None | 38 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 7 | 3 | 2 | 6.2 | O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL368993 | 131387 | 0 | None | 38 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 7 | 3 | 2 | 6.2 | O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| 90665460 | 109260 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 793 | 13 | 3 | 7 | 3.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | |||
| CHEMBL3218122 | 109260 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 793 | 13 | 3 | 7 | 3.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | |||
| CHEMBL410181 | 212805 | 0 | None | 1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 90644977 | 111842 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 410 | 5 | 2 | 3 | 5.8 | O=C(Nc1ccc(F)cc1)O[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 | 10.1021/ml500079u | |||
| CHEMBL3287648 | 111842 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 410 | 5 | 2 | 3 | 5.8 | O=C(Nc1ccc(F)cc1)O[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 | 10.1021/ml500079u | |||
| CHEMBL3349520 | 211420 | 0 | None | -1 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| 44385652 | 60392 | 0 | None | 6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 405 | 6 | 4 | 2 | 5.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccccc1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL174872 | 60392 | 0 | None | 6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 405 | 6 | 4 | 2 | 5.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccccc1 | 10.1016/s0960-894x(01)00107-x | |||
| 10248767 | 57192 | 0 | None | -5 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 373 | 6 | 1 | 6 | 3.9 | NCCCc1nc(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL164964 | 57192 | 0 | None | -5 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 373 | 6 | 1 | 6 | 3.9 | NCCCc1nc(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL2370168 | 209807 | 0 | None | -58 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | |||||
| 9827283 | 78588 | 0 | None | -56 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 4 | 3 | 4.1 | NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| CHEMBL2112223 | 78588 | 0 | None | -56 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 4 | 3 | 4.1 | NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| 122186633 | 122875 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 384 | 5 | 2 | 3 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4cn(C)c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605791 | 122875 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 384 | 5 | 2 | 3 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4cn(C)c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 13690207 | 115382 | 0 | None | -30 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm050376t | |||
| CHEMBL3350037 | 115382 | 0 | None | -30 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm050376t | |||
| 122186643 | 122885 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 5 | 2 | 2 | 4.7 | Cc1ccc(-c2c[nH]c(C3(NCCC(F)(F)F)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605801 | 122885 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 337 | 5 | 2 | 2 | 4.7 | Cc1ccc(-c2c[nH]c(C3(NCCC(F)(F)F)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 9851998 | 24585 | 0 | None | -5248 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 617 | 12 | 4 | 6 | 4.3 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL134280 | 24585 | 0 | None | -5248 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 617 | 12 | 4 | 6 | 4.3 | C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL407496 | 212665 | 0 | None | -8 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(F)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 122186654 | 122896 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 337 | 5 | 2 | 2 | 5.3 | Cc1ccc(-c2c[nH]c(C3(NCC4CCCCC4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605812 | 122896 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 337 | 5 | 2 | 2 | 5.3 | Cc1ccc(-c2c[nH]c(C3(NCC4CCCCC4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 91809286 | 125763 | 0 | None | -177 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1489 | 23 | 16 | 15 | 2.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | |||
| CHEMBL3647687 | 125763 | 0 | None | -177 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1489 | 23 | 16 | 15 | 2.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | |||
| 90665463 | 109262 | 0 | None | 4 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 882 | 28 | 3 | 9 | 4.5 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CCN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | |||
| CHEMBL3218124 | 109262 | 0 | None | 4 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 882 | 28 | 3 | 9 | 4.5 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CCN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | |||
| CHEMBL415201 | 213180 | 0 | None | -7 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 142471848 | 191267 | 0 | None | -2754 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| CHEMBL5190457 | 191267 | 0 | None | -2754 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | |||
| 73352847 | 89231 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 12 | 3 | 2 | 8.6 | CCCCCCC1(CCCCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL2367836 | 89231 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 12 | 3 | 2 | 8.6 | CCCCCCC1(CCCCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| 9852911 | 99383 | 0 | None | -18 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL282618 | 99383 | 0 | None | -18 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL439005 | 213817 | 0 | None | -5 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 90644999 | 111845 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287651 | 111845 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| 44308969 | 204364 | 0 | None | -1862 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | |||
| CHEMBL71723 | 204364 | 0 | None | -1862 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | |||
| 90644993 | 111827 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 444 | 5 | 2 | 2 | 6.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2cc(F)ccc2c1 | 10.1021/ml500079u | |||
| CHEMBL3287629 | 111827 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 444 | 5 | 2 | 2 | 6.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc2cc(F)ccc2c1 | 10.1021/ml500079u | |||
| 122186627 | 122869 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 5 | 3 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605785 | 122869 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 370 | 5 | 3 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 11112736 | 16529 | 0 | None | 3090 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL1237140 | 16529 | 0 | None | 3090 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL1788167 | 16529 | 0 | None | 3090 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| 11048825 | 109056 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 460 | 8 | 3 | 2 | 7.7 | CCCCC1(CCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(Cl)cc21 | 10.1021/jm0108449 | |||
| CHEMBL321282 | 109056 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 460 | 8 | 3 | 2 | 7.7 | CCCCC1(CCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(Cl)cc21 | 10.1021/jm0108449 | |||
| 90644996 | 111831 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287632 | 111831 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| 90644981 | 111813 | 0 | None | 81 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287613 | 111813 | 0 | None | 81 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| 90644997 | 111834 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 369 | 5 | 3 | 2 | 3.9 | O=C(N[C@@H]1CCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 | 10.1021/ml500079u | |||
| CHEMBL3287635 | 111834 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 369 | 5 | 3 | 2 | 3.9 | O=C(N[C@@H]1CCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 | 10.1021/ml500079u | |||
| 91809287 | 160258 | 0 | None | -616 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | |||
| CHEMBL4110066 | 160258 | 0 | None | -616 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | |||
| 10325243 | 100495 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 549 | 17 | 1 | 7 | 5.3 | CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL29102 | 100495 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 549 | 17 | 1 | 7 | 5.3 | CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| 15965425 | 2206 | 7 | None | -3090 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/acs.jmedchem.6b01029 | |||
| 2046 | 2206 | 7 | None | -3090 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/acs.jmedchem.6b01029 | |||
| CHEMBL99895 | 2206 | 7 | None | -3090 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/acs.jmedchem.6b01029 | |||
| 15965425 | 2206 | 7 | None | -3090 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/jm020424z | |||
| 2046 | 2206 | 7 | None | -3090 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/jm020424z | |||
| CHEMBL99895 | 2206 | 7 | None | -3090 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/jm020424z | |||
| 122186632 | 122874 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 6 | 3 | 2 | 6.8 | c1ccc(-c2ccc(-c3c[nH]c(C4(NCc5c[nH]c6ccccc56)CCCC4)n3)cc2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605790 | 122874 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 432 | 6 | 3 | 2 | 6.8 | c1ccc(-c2ccc(-c3c[nH]c(C4(NCc5c[nH]c6ccccc56)CCCC4)n3)cc2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 2051 | 3576 | 24 | None | -218 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| 5311430 | 3576 | 24 | None | -218 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| CHEMBL311695 | 3576 | 24 | None | -218 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | |||||
| 90665462 | 109230 | 0 | None | 4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 867 | 27 | 3 | 9 | 4.1 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | |||
| CHEMBL3217760 | 109230 | 0 | None | 4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 867 | 27 | 3 | 9 | 4.1 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | |||
| 71461645 | 78904 | 0 | None | -3 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 4.4 | NCCCc1nc(-c2c[nH]c3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL2112935 | 78904 | 0 | None | -3 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 4.4 | NCCCc1nc(-c2c[nH]c3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL2369753 | 209671 | 0 | None | -3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N1C | 10.1021/jm0005048 | |||||
| 122186644 | 122886 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 6 | 2 | 3 | 5.0 | COc1ccc(CNC2(c3nc(-c4ccc(C)cc4)c[nH]3)CCCC2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605802 | 122886 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 6 | 2 | 3 | 5.0 | COc1ccc(CNC2(c3nc(-c4ccc(C)cc4)c[nH]3)CCCC2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 122186645 | 122887 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 365 | 5 | 2 | 2 | 5.6 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(Cl)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605803 | 122887 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 365 | 5 | 2 | 2 | 5.6 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(Cl)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 90645008 | 111812 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 5 | 3 | 2 | 4.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccccc1 | 10.1021/ml500079u | |||
| CHEMBL3287612 | 111812 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 5 | 3 | 2 | 4.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccccc1 | 10.1021/ml500079u | |||
| 73355921 | 89237 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 391 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@@H]3Cc4c([nH]c5ccccc45)C(c4ccncc4)N3)n2)cc1 | 10.1021/jm0108449 | |||
| CHEMBL2367843 | 89237 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 391 | 3 | 3 | 3 | 4.9 | c1ccc(-c2c[nH]c([C@@H]3Cc4c([nH]c5ccccc45)C(c4ccncc4)N3)n2)cc1 | 10.1021/jm0108449 | |||
| 73354354 | 89239 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 433 | 4 | 3 | 3 | 5.6 | CN(C)c1ccc(C2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 | 10.1021/jm0108449 | |||
| CHEMBL2367845 | 89239 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 433 | 4 | 3 | 3 | 5.6 | CN(C)c1ccc(C2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 | 10.1021/jm0108449 | |||
| CHEMBL2369750 | 209668 | 0 | None | -9 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H]1CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC1=O | 10.1021/jm0005048 | |||||
| 122186646 | 122888 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 5 | 2 | 2 | 6.0 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(C(F)(F)F)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605804 | 122888 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 5 | 2 | 2 | 6.0 | Cc1ccc(-c2c[nH]c(C3(NCc4ccc(C(F)(F)F)cc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 9985523 | 99161 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 572 | 17 | 2 | 6 | 6.2 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL281200 | 99161 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 572 | 17 | 2 | 6 | 6.2 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| 10770814 | 100792 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL29311 | 100792 | 0 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| 122186656 | 122898 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 5 | 2 | 4 | 3.7 | Cc1ccc(-c2c[nH]c(C3(NCc4cnn(C)c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605814 | 122898 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 5 | 2 | 4 | 3.7 | Cc1ccc(-c2c[nH]c(C3(NCc4cnn(C)c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 122186642 | 122884 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 325 | 5 | 2 | 2 | 5.2 | Cc1ccc(-c2c[nH]c(C3(NCCC(C)(C)C)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605800 | 122884 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 325 | 5 | 2 | 2 | 5.2 | Cc1ccc(-c2c[nH]c(C3(NCCC(C)(C)C)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 10094509 | 130686 | 0 | None | 44 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 435 | 7 | 4 | 3 | 5.5 | COc1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL368334 | 130686 | 0 | None | 44 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 435 | 7 | 4 | 3 | 5.5 | COc1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| 44308836 | 102791 | 0 | None | -912 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NCC1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | |||
| CHEMBL305279 | 102791 | 0 | None | -912 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NCC1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | |||
| 44309052 | 203947 | 0 | None | -186 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@H]1CCC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | |||
| CHEMBL69303 | 203947 | 0 | None | -186 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@H]1CCC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | |||
| 122186639 | 122881 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 6 | 2 | 2 | 5.0 | Cc1ccc(-c2c[nH]c(C3(NCCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605797 | 122881 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 6 | 2 | 2 | 5.0 | Cc1ccc(-c2c[nH]c(C3(NCCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 90644984 | 111816 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 344 | 5 | 2 | 2 | 3.8 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287616 | 111816 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 344 | 5 | 2 | 2 | 3.8 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| 10096510 | 57428 | 0 | None | -10 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 5.2 | CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL165402 | 57428 | 0 | None | -10 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 5.2 | CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL2372960 | 210326 | 0 | None | -10 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | |||||
| 44354386 | 22609 | 0 | None | -30 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 619 | 13 | 4 | 7 | 3.2 | CC(C)S(=O)(=O)N1CCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL132658 | 22609 | 0 | None | -30 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 619 | 13 | 4 | 7 | 3.2 | CC(C)S(=O)(=O)N1CCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL414116 | 213111 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL408347 | 212707 | 0 | None | -3 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL2369749 | 209667 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| 9803492 | 4777 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 443 | 8 | 2 | 3 | 7.8 | CCCCC1(CCCC)N[C@@H](c2nc(-c3ccccc3)cs2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL103987 | 4777 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 443 | 8 | 2 | 3 | 7.8 | CCCCC1(CCCC)N[C@@H](c2nc(-c3ccccc3)cs2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL1202952 | 4777 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 443 | 8 | 2 | 3 | 7.8 | CCCCC1(CCCC)N[C@@H](c2nc(-c3ccccc3)cs2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL406491 | 212611 | 0 | None | -10 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2F)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2F)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL438281 | 213763 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2F)CSSC[C@H](C(=O)N[C@@H](Cc2ccccc2F)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 90644979 | 111844 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.6 | O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12 | 10.1021/ml500079u | |||
| CHEMBL3287650 | 111844 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.6 | O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12 | 10.1021/ml500079u | |||
| CHEMBL2369752 | 209670 | 0 | None | -7 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| CHEMBL411556 | 212886 | 0 | None | -6 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cccc(F)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(F)c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 91809285 | 125762 | 0 | None | -30 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1880 | 34 | 19 | 19 | 5.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| CHEMBL3647686 | 125762 | 0 | None | -30 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1880 | 34 | 19 | 19 | 5.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | |||
| 90645013 | 111832 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 351 | 5 | 3 | 2 | 3.7 | O=C(N[C@@H]1CCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287633 | 111832 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 351 | 5 | 3 | 2 | 3.7 | O=C(N[C@@H]1CCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3098601 | 211018 | 0 | None | -21 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1C/C=C\C[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | |||||
| 90644991 | 111825 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 412 | 5 | 2 | 2 | 5.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 | 10.1021/ml500079u | |||
| CHEMBL3287627 | 111825 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 412 | 5 | 2 | 2 | 5.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 | 10.1021/ml500079u | |||
| 122186637 | 122879 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 370 | 5 | 3 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4cc5ccccc5[nH]4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605795 | 122879 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 370 | 5 | 3 | 2 | 5.4 | Cc1ccc(-c2c[nH]c(C3(NCc4cc5ccccc5[nH]4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL2371893 | 210147 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(C(F)(F)F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| 44385508 | 130088 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 401 | 5 | 4 | 2 | 4.9 | CC(C)(C)NC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL367716 | 130088 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 401 | 5 | 4 | 2 | 4.9 | CC(C)(C)NC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| 142471891 | 190595 | 0 | None | -2884 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | |||
| CHEMBL5180551 | 190595 | 0 | None | -2884 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | |||
| 44397706 | 67191 | 0 | None | -22 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL187768 | 67191 | 0 | None | -22 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | |||
| 44385504 | 61048 | 0 | None | 2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 489 | 7 | 4 | 3 | 6.4 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(OC(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL176313 | 61048 | 0 | None | 2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 489 | 7 | 4 | 3 | 6.4 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(OC(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| 90644995 | 111830 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 426 | 5 | 2 | 2 | 6.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 | 10.1021/ml500079u | |||
| CHEMBL3287631 | 111830 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 426 | 5 | 2 | 2 | 6.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 | 10.1021/ml500079u | |||
| CHEMBL2370167 | 209806 | 0 | None | -190 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | |||||
| 9803491 | 109433 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 8 | 2 | 3 | 7.8 | CCCCC1(CCCC)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1sc1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL322012 | 109433 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 8 | 2 | 3 | 7.8 | CCCCC1(CCCC)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1sc1ccccc21 | 10.1021/jm0108449 | |||
| 168288485 | 191731 | 0 | None | -8709 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL5197201 | 191731 | 0 | None | -8709 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL2369756 | 209674 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)N(C)C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| 90665461 | 109261 | 0 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 807 | 13 | 3 | 7 | 4.3 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | |||
| CHEMBL3218123 | 109261 | 0 | None | -2 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 807 | 13 | 3 | 7 | 4.3 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | |||
| 90645012 | 111824 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.8 | COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NCc2ccc(Cl)c(Cl)c2)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287626 | 111824 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.8 | COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NCc2ccc(Cl)c(Cl)c2)cc1 | 10.1021/ml500079u | |||
| CHEMBL413709 | 213083 | 0 | None | -2 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL406152 | 212596 | 0 | None | -6 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cccc(F)c2)CSSC[C@H](C(=O)N[C@@H](Cc2cccc(F)c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 13690207 | 115382 | 0 | None | -30 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm021093t | |||
| CHEMBL3350037 | 115382 | 0 | None | -30 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm021093t | |||
| 122186628 | 122870 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 384 | 5 | 3 | 2 | 5.8 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605786 | 122870 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 384 | 5 | 3 | 2 | 5.8 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 122186630 | 122872 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 356 | 5 | 3 | 2 | 5.1 | c1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605788 | 122872 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 356 | 5 | 3 | 2 | 5.1 | c1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL446077 | 213943 | 0 | None | -9 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CNCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm701618q | |||||
| 44386389 | 130083 | 0 | None | 4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 6 | 4 | 2 | 6.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL367699 | 130083 | 0 | None | 4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 6 | 4 | 2 | 6.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| 122186626 | 122868 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 5 | 3 | 2 | 5.0 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605784 | 122868 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 356 | 5 | 3 | 2 | 5.0 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL439136 | 213827 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 122186641 | 122883 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 283 | 5 | 2 | 2 | 4.2 | CCCNC1(c2nc(-c3ccc(C)cc3)c[nH]2)CCCC1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605799 | 122883 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 283 | 5 | 2 | 2 | 4.2 | CCCNC1(c2nc(-c3ccc(C)cc3)c[nH]2)CCCC1 | 10.1016/j.bmcl.2015.06.087 | |||
| 44354398 | 115502 | 0 | None | -346 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 583 | 12 | 4 | 6 | 3.6 | CC(C)C(=O)N1CCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL335223 | 115502 | 0 | None | -346 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 583 | 12 | 4 | 6 | 3.6 | CC(C)C(=O)N1CCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00687-9 | |||
| CHEMBL385746 | 212364 | 0 | None | -3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL2369757 | 209675 | 0 | None | -21 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cccnc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| 168279197 | 190932 | 0 | None | -8912 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| CHEMBL5185547 | 190932 | 0 | None | -8912 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | |||
| 73351385 | 89230 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 9 | 3 | 2 | 8.7 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL2367835 | 89230 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 502 | 9 | 3 | 2 | 8.7 | CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | |||
| CHEMBL2372964 | 210330 | 0 | None | -4 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(F)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | |||||
| 122186649 | 122891 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 5 | 2 | 3 | 4.3 | Cc1ccc(-c2c[nH]c(C3(NCc4ccncc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605807 | 122891 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 5 | 2 | 3 | 4.3 | Cc1ccc(-c2c[nH]c(C3(NCc4ccncc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL2372959 | 210325 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)C2Cc3ccccc3C2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)C2Cc3ccccc3C2)NC1=O | 10.1021/jm9806289 | |||||
| 9848232 | 102153 | 0 | None | -9 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| CHEMBL302567 | 102153 | 0 | None | -9 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | |||
| CHEMBL437448 | 213719 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Br)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(Br)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL2369751 | 209669 | 0 | None | -6 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1 | 10.1021/jm0005048 | |||||
| CHEMBL2372957 | 210323 | 0 | None | -3 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@@H](C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)NC1=O)C1CCCS1 | 10.1021/jm9806289 | |||||
| 90645005 | 111838 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 388 | 5 | 2 | 2 | 6.0 | O=C(Nc1ccccc1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287642 | 111838 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 388 | 5 | 2 | 2 | 6.0 | O=C(Nc1ccccc1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL2369761 | 209679 | 0 | None | -5 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)C(N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1)C(c1ccccc1)c1ccccc1 | 10.1021/jm0005048 | |||||
| 90644982 | 111814 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 394 | 5 | 2 | 2 | 5.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287614 | 111814 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 394 | 5 | 2 | 2 | 5.0 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| 10917657 | 60067 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 10 | 3 | 2 | 8.1 | CCCCCC1(CCCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(C)cc21 | 10.1021/jm0108449 | |||
| CHEMBL173778 | 60067 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 10 | 3 | 2 | 8.1 | CCCCCC1(CCCCC)NC(c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccc(C)cc21 | 10.1021/jm0108449 | |||
| 122186629 | 122871 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 5 | 4 | 3 | 4.2 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCNCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605787 | 122871 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 385 | 5 | 4 | 3 | 4.2 | Cc1ccc(-c2c[nH]c(C3(NCc4c[nH]c5ccccc45)CCNCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 9802240 | 89235 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 420 | 4 | 3 | 3 | 5.5 | COc1ccc(C2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 | 10.1021/jm0108449 | |||
| CHEMBL2367841 | 89235 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 420 | 4 | 3 | 3 | 5.5 | COc1ccc(C2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 | 10.1021/jm0108449 | |||
| 10580397 | 99315 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 677 | 20 | 3 | 7 | 6.9 | NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL282129 | 99315 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 677 | 20 | 3 | 7 | 6.9 | NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| 10554930 | 100192 | 0 | None | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 562 | 17 | 3 | 7 | 4.9 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL28824 | 100192 | 0 | None | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 562 | 17 | 3 | 7 | 4.9 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL1201185 | 208601 | 28 | None | -125 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm021093t | |||||
| 10699714 | 99417 | 0 | None | -3 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL282803 | 99417 | 0 | None | -3 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| 90644983 | 111815 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 5 | 2 | 2 | 4.0 | Cc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287615 | 111815 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 5 | 2 | 2 | 4.0 | Cc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 | 10.1021/ml500079u | |||
| 90644989 | 111821 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 354 | 7 | 2 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCCCc1ccccc1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287621 | 111821 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 354 | 7 | 2 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCCCc1ccccc1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL2369755 | 209673 | 0 | None | -10 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| 56945132 | 171420 | 0 | None | -346 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/C8MD00388B | |||
| CHEMBL4462793 | 171420 | 0 | None | -346 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/C8MD00388B | |||
| CHEMBL2369734 | 209662 | 0 | None | 2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)N(C)C1=O | 10.1021/jm0005048 | |||||
| 142471737 | 190304 | 0 | None | -169 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.8 | Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | |||
| CHEMBL5176020 | 190304 | 0 | None | -169 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.8 | Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | |||
| 91809284 | 125761 | 0 | None | -36 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1896 | 34 | 20 | 20 | 5.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | |||
| CHEMBL3647685 | 125761 | 0 | None | -36 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1896 | 34 | 20 | 20 | 5.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | |||
| CHEMBL3349518 | 211419 | 0 | None | -12 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | |||||
| 44385712 | 60344 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 343 | 5 | 4 | 2 | 4.4 | CC(=N)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL174490 | 60344 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 343 | 5 | 4 | 2 | 4.4 | CC(=N)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL2372958 | 210324 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CS2=CCc3ccccc32)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 10960879 | 78678 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 425 | 2 | 3 | 3 | 4.3 | CC(=O)N1CCC2(CC1)N[C@@H](c1nc(-c3ccccc3)c[nH]1)Cc1c2[nH]c2ccccc12 | 10.1021/jm0108449 | |||
| CHEMBL2112415 | 78678 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 425 | 2 | 3 | 3 | 4.3 | CC(=O)N1CCC2(CC1)N[C@@H](c1nc(-c3ccccc3)c[nH]1)Cc1c2[nH]c2ccccc12 | 10.1021/jm0108449 | |||
| 122186648 | 122890 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 349 | 5 | 2 | 2 | 5.1 | Cc1ccc(-c2c[nH]c(C3(NCc4cccc(F)c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605806 | 122890 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 349 | 5 | 2 | 2 | 5.1 | Cc1ccc(-c2c[nH]c(C3(NCc4cccc(F)c4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 122186634 | 122876 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 6 | 3 | 2 | 5.5 | Cc1ccc(-c2c[nH]c(C3(NCCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605792 | 122876 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 6 | 3 | 2 | 5.5 | Cc1ccc(-c2c[nH]c(C3(NCCc4c[nH]c5ccccc45)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 11025614 | 107376 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 392 | 3 | 2 | 2 | 6.8 | c1ccc(-c2c[nH]c(-c3cc4c([nH]c5ccccc54)c(C4CCCCC4)n3)n2)cc1 | 10.1021/jm0108449 | |||
| CHEMBL317808 | 107376 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 392 | 3 | 2 | 2 | 6.8 | c1ccc(-c2c[nH]c(-c3cc4c([nH]c5ccccc54)c(C4CCCCC4)n3)n2)cc1 | 10.1021/jm0108449 | |||
| 90644990 | 111822 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 320 | 5 | 2 | 2 | 3.9 | CC(C)(C)CCN[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287622 | 111822 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 320 | 5 | 2 | 2 | 3.9 | CC(C)(C)CCN[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| 10166743 | 123946 | 0 | None | 8 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 6 | 4 | 2 | 6.1 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL362859 | 123946 | 0 | None | 8 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 6 | 4 | 2 | 6.1 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00107-x | |||
| CHEMBL2370166 | 209805 | 0 | None | -38 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccccc1)N1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C1=O | 10.1021/jm970393l | |||||
| 44387399 | 169017 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1055 | 13 | 11 | 14 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](NN2Cc3ccccc3CC2C(=O)O)CSSC[C@@H](C(=O)NN2Cc3ccccc3CC2C(=O)O)NC1=O | 10.1021/jm9806289 | |||
| CHEMBL439350 | 169017 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1055 | 13 | 11 | 14 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](NN2Cc3ccccc3CC2C(=O)O)CSSC[C@@H](C(=O)NN2Cc3ccccc3CC2C(=O)O)NC1=O | 10.1021/jm9806289 | |||
| 122186651 | 122893 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 6 | 2 | 4 | 4.7 | COC(=O)c1ccc(CNC2(c3nc(-c4ccc(C)cc4)c[nH]3)CCCC2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605809 | 122893 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 6 | 2 | 4 | 4.7 | COC(=O)c1ccc(CNC2(c3nc(-c4ccc(C)cc4)c[nH]3)CCCC2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL412561 | 213004 | 0 | None | -7 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc(F)cc2)CSSC[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 44332643 | 4650 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 434 | 2 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C4(N3)C3CC5CC(C3)CC4C5)n2)cc1 | 10.1021/jm0108449 | |||
| CHEMBL103088 | 4650 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 434 | 2 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C4(N3)C3CC5CC(C3)CC4C5)n2)cc1 | 10.1021/jm0108449 | |||
| CHEMBL1202953 | 4650 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 434 | 2 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C4(N3)C3CC5CC(C3)CC4C5)n2)cc1 | 10.1021/jm0108449 | |||
| CHEMBL437220 | 213711 | 0 | None | -3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 122186657 | 122899 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 349 | 6 | 2 | 4 | 4.2 | CCn1cncc1CNC1(c2nc(-c3ccc(C)cc3)c[nH]2)CCCC1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605815 | 122899 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 349 | 6 | 2 | 4 | 4.2 | CCn1cncc1CNC1(c2nc(-c3ccc(C)cc3)c[nH]2)CCCC1 | 10.1016/j.bmcl.2015.06.087 | |||
| 44377623 | 119916 | 0 | None | -16 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 449 | 9 | 2 | 6 | 4.7 | CCCCNC(=O)C(C)(C)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| CHEMBL349355 | 119916 | 0 | None | -16 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 449 | 9 | 2 | 6 | 4.7 | CCCCNC(=O)C(C)(C)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | |||
| 90644976 | 111841 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 409 | 5 | 3 | 2 | 5.4 | O=C(Nc1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 | 10.1021/ml500079u | |||
| CHEMBL3287647 | 111841 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 409 | 5 | 3 | 2 | 5.4 | O=C(Nc1ccc(F)cc1)N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 | 10.1021/ml500079u | |||
| 122186638 | 122880 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 331 | 5 | 2 | 2 | 4.9 | Cc1ccc(-c2c[nH]c(C3(NCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| CHEMBL3605796 | 122880 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 331 | 5 | 2 | 2 | 4.9 | Cc1ccc(-c2c[nH]c(C3(NCc4ccccc4)CCCC3)n2)cc1 | 10.1016/j.bmcl.2015.06.087 | |||
| 90644986 | 111818 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 342 | 5 | 3 | 3 | 3.4 | O=C(N[C@@H]1CCCC[C@@H]1NCc1cccc(O)c1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287618 | 111818 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 342 | 5 | 3 | 3 | 3.4 | O=C(N[C@@H]1CCCC[C@@H]1NCc1cccc(O)c1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| 10009650 | 99795 | 0 | None | -8 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| CHEMBL285333 | 99795 | 0 | None | -8 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | |||
| 90645001 | 111836 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 352 | 5 | 2 | 2 | 3.8 | O=C(N[C@@H]1C[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL3287637 | 111836 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 352 | 5 | 2 | 2 | 3.8 | O=C(N[C@@H]1C[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 | 10.1021/ml500079u | |||
| CHEMBL2369735 | 209663 | 0 | None | -16 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | 10.1021/jm0005048 | |||||
| CHEMBL510755 | 215588 | 0 | None | -3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701618q | |||||
| CHEMBL2311098 | 209505 | 0 | None | -8 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| CHEMBL438726 | 213789 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O | 10.1021/jm9806289 | |||||
| 44397648 | 66764 | 0 | None | -24 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| CHEMBL185861 | 66764 | 0 | None | -24 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | |||
| 90645011 | 111823 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 376 | 5 | 2 | 2 | 4.8 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccccc1 | 10.1021/ml500079u | |||
| CHEMBL3287625 | 111823 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 376 | 5 | 2 | 2 | 4.8 | O=C(N[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1)c1ccccc1 | 10.1021/ml500079u | |||
| 16161315 | 216096 | 0 | None | -1 | 12 | Mouse | 8.0 | pIC50 | = | 8 | Binding | Drug Central | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 2055 | 2907 | 48 | None | -66 | 14 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | None | -66 | 14 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | None | -66 | 14 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | None | -66 | 14 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | None | -66 | 14 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | None | -66 | 14 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 16161315 | 216096 | 0 | 125I-Tyr11-SRIF | -1 | 12 | Mouse | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr11-somatostatin | -3 | 12 | Rat | 10.2 | pKi | = | 10.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-CGP23996 | -1 | 12 | Mouse | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr11-SRIF-14 | -4 | 12 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr11-somatostatin-14 | -4 | 12 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr11-somatostatin-14 | -3 | 12 | Rat | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-CGP23996 | -4 | 12 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr10-CST14 | -4 | 12 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr10-CST14 | -4 | 12 | Human | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-SOMATOSTATIN 14 | -4 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-SRIF | -4 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-SRIF-28 | -4 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-LTT-SRIF28 | -4 | 12 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-LTT-SRIF28 | -4 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | UNDEFINED | -4 | 12 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr11-SRIF | -4 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr11-SRIF | -4 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-LTT-SST-28 | -4 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-LTT-SST-28 | -4 | 12 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr11-SRIF | -4 | 12 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr11-somatostatin-14 | -1 | 12 | Mouse | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-SOMATOSTATIN | -3 | 12 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-Tyr11-somatostatin-14 | -4 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | 125I-LTT-SST-28 | -4 | 12 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 16161315 | 216096 | 0 | None | -4 | 12 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 2247 | 505 | 81 | UNDEFINED | -5754 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 249 | 505 | 81 | UNDEFINED | -5754 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 2603 | 505 | 81 | UNDEFINED | -5754 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| CHEMBL296419 | 505 | 81 | UNDEFINED | -5754 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| DB00637 | 505 | 81 | UNDEFINED | -5754 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 46882665 | 5632 | 0 | UNDEFINED | -15 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cccnc4o3)CC2)ccc1OC | None | |||
| CHEMBL1077721 | 5632 | 0 | UNDEFINED | -15 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cccnc4o3)CC2)ccc1OC | None | |||
| 46882666 | 5633 | 0 | UNDEFINED | -13 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4ccncc4o3)CC2)ccc1OC | None | |||
| CHEMBL1077722 | 5633 | 0 | UNDEFINED | -13 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4ccncc4o3)CC2)ccc1OC | None | |||
| 46882746 | 5637 | 0 | UNDEFINED | -21 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 1 | 6 | 3.9 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC | None | |||
| CHEMBL1077742 | 5637 | 0 | UNDEFINED | -21 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 1 | 6 | 3.9 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC | None | |||
| 24740861 | 5678 | 0 | UNDEFINED | -20 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 399 | 8 | 1 | 6 | 4.3 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCCF | None | |||
| CHEMBL1077877 | 5678 | 0 | UNDEFINED | -20 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 399 | 8 | 1 | 6 | 4.3 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCCF | None | |||
| 46882789 | 5679 | 0 | UNDEFINED | -19 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 5 | 5.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C(F)(F)F | None | |||
| CHEMBL1077887 | 5679 | 0 | UNDEFINED | -19 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 5 | 5.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C(F)(F)F | None | |||
| 46882181 | 5681 | 0 | UNDEFINED | -50 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 10 | 2 | 8 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1077908 | 5681 | 0 | UNDEFINED | -50 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 10 | 2 | 8 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC | None | |||
| 46882790 | 5702 | 0 | UNDEFINED | -18 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 407 | 8 | 1 | 6 | 4.8 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC1CC1 | None | |||
| CHEMBL1078081 | 5702 | 0 | UNDEFINED | -18 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 407 | 8 | 1 | 6 | 4.8 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC1CC1 | None | |||
| 46882620 | 5715 | 0 | UNDEFINED | -28 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 465 | 8 | 1 | 7 | 5.2 | CCOc1cc(CN2CCC(Nc3nc4cc(OC(F)(F)F)ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1078215 | 5715 | 0 | UNDEFINED | -28 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 465 | 8 | 1 | 7 | 5.2 | CCOc1cc(CN2CCC(Nc3nc4cc(OC(F)(F)F)ccc4o3)CC2)ccc1OC | None | |||
| 46882664 | 5717 | 0 | UNDEFINED | -28 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 494 | 8 | 2 | 8 | 3.6 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC | None | |||
| CHEMBL1078240 | 5717 | 0 | UNDEFINED | -28 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 494 | 8 | 2 | 8 | 3.6 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC | None | |||
| 46882621 | 5723 | 0 | UNDEFINED | -28 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 438 | 8 | 2 | 7 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(C)=O)ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1078283 | 5723 | 0 | UNDEFINED | -28 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 438 | 8 | 2 | 7 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(C)=O)ccc4o3)CC2)ccc1OC | None | |||
| 46882831 | 5744 | 0 | UNDEFINED | -301 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 8 | 2 | 7 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1N | None | |||
| CHEMBL1078449 | 5744 | 0 | UNDEFINED | -301 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 8 | 2 | 7 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1N | None | |||
| 46882832 | 5746 | 0 | UNDEFINED | -64 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 467 | 10 | 1 | 8 | 4.9 | CCOC(=O)c1c(OCC)cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCC | None | |||
| CHEMBL1078450 | 5746 | 0 | UNDEFINED | -64 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 467 | 10 | 1 | 8 | 4.9 | CCOC(=O)c1c(OCC)cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCC | None | |||
| 11848626 | 5747 | 0 | UNDEFINED | -56 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 413 | 8 | 1 | 6 | 4.8 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1F | None | |||
| CHEMBL1078451 | 5747 | 0 | UNDEFINED | -56 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 413 | 8 | 1 | 6 | 4.8 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OCC)c1F | None | |||
| 46882622 | 5762 | 0 | UNDEFINED | -44 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 488 | 9 | 1 | 8 | 3.6 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1078528 | 5762 | 0 | UNDEFINED | -44 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 488 | 9 | 1 | 8 | 3.6 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)ccc1OC | None | |||
| 11848625 | 5792 | 0 | UNDEFINED | -107 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | None | |||
| CHEMBL1078745 | 5792 | 0 | UNDEFINED | -107 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 451 | 8 | 1 | 7 | 4.9 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1 | None | |||
| 46882708 | 5803 | 0 | UNDEFINED | -26 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 380 | 7 | 2 | 6 | 4.3 | CCNc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1078841 | 5803 | 0 | UNDEFINED | -26 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 380 | 7 | 2 | 6 | 4.3 | CCNc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | |||
| 11848833 | 5807 | 0 | UNDEFINED | -323 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 423 | 8 | 1 | 6 | 5.5 | CC(C)Oc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC(C)C)c1 | None | |||
| CHEMBL1078895 | 5807 | 0 | UNDEFINED | -323 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 423 | 8 | 1 | 6 | 5.5 | CC(C)Oc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC(C)C)c1 | None | |||
| 46882133 | 5808 | 0 | UNDEFINED | -54 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1078896 | 5808 | 0 | UNDEFINED | -54 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | None | |||
| 46882445 | 5811 | 0 | UNDEFINED | -30 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 6 | 1 | 6 | 4.8 | CCOc1cc(N2CCC(Nc3nc4ccccc4s3)CC2)ccc1OC | None | |||
| CHEMBL1078903 | 5811 | 0 | UNDEFINED | -30 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 6 | 1 | 6 | 4.8 | CCOc1cc(N2CCC(Nc3nc4ccccc4s3)CC2)ccc1OC | None | |||
| 46882180 | 5841 | 0 | UNDEFINED | -39 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 482 | 7 | 2 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F | None | |||
| CHEMBL1079180 | 5841 | 0 | UNDEFINED | -39 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 482 | 7 | 2 | 7 | 3.7 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F | None | |||
| 46882577 | 5857 | 1 | UNDEFINED | -51 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 415 | 7 | 1 | 6 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1079312 | 5857 | 1 | UNDEFINED | -51 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 415 | 7 | 1 | 6 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)ccc4o3)CC2)ccc1OC | None | |||
| 46882578 | 5858 | 0 | UNDEFINED | -51 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 9 | 1 | 8 | 4.1 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1079313 | 5858 | 0 | UNDEFINED | -51 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 9 | 1 | 8 | 4.1 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC | None | |||
| 46882579 | 5859 | 0 | UNDEFINED | -39 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 1 | 8 | 4.2 | CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1079314 | 5859 | 0 | UNDEFINED | -39 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 8 | 1 | 8 | 4.2 | CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)ccc1OC | None | |||
| 46882182 | 5921 | 0 | UNDEFINED | -190 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 567 | 11 | 1 | 9 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1-n1cccc1 | None | |||
| CHEMBL1079686 | 5921 | 0 | UNDEFINED | -190 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 567 | 11 | 1 | 9 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1-n1cccc1 | None | |||
| 16062555 | 5956 | 0 | UNDEFINED | -562 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 457 | 9 | 2 | 7 | 4.5 | CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)cc(OCC)c1F | None | |||
| CHEMBL1079874 | 5956 | 0 | UNDEFINED | -562 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 457 | 9 | 2 | 7 | 4.5 | CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)cc(OCC)c1F | None | |||
| 11848835 | 6063 | 0 | UNDEFINED | -1258 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 456 | 9 | 2 | 7 | 3.9 | CCOc1cc(CN2CCC(Nc3nc4cc(C(N)=O)ccc4o3)CC2)cc(OCC)c1F | None | |||
| CHEMBL1080584 | 6063 | 0 | UNDEFINED | -1258 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 456 | 9 | 2 | 7 | 3.9 | CCOc1cc(CN2CCC(Nc3nc4cc(C(N)=O)ccc4o3)CC2)cc(OCC)c1F | None | |||
| 16062816 | 6064 | 0 | UNDEFINED | -3311 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(C(=O)O)ccc4o3)CC2)cc(OCC)c1Cl | None | |||
| CHEMBL1080585 | 6064 | 0 | UNDEFINED | -3311 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 473 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(C(=O)O)ccc4o3)CC2)cc(OCC)c1Cl | None | |||
| 16062553 | 6065 | 0 | UNDEFINED | -436 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 429 | 7 | 2 | 6 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)ccc1Cl | None | |||
| CHEMBL1080586 | 6065 | 0 | UNDEFINED | -436 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 429 | 7 | 2 | 6 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)ccc1Cl | None | |||
| 46882225 | 6147 | 0 | UNDEFINED | -39 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 526 | 9 | 2 | 8 | 4.1 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)cc(OCC)c1F | None | |||
| CHEMBL1080950 | 6147 | 0 | UNDEFINED | -39 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 526 | 9 | 2 | 8 | 4.1 | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)cc(OCC)c1F | None | |||
| 46882226 | 6148 | 0 | UNDEFINED | -41 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 5 | 5.6 | CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4o3)CC2)ccc1Cl | None | |||
| CHEMBL1080951 | 6148 | 0 | UNDEFINED | -41 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 5 | 5.6 | CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4o3)CC2)ccc1Cl | None | |||
| 46882227 | 6176 | 0 | UNDEFINED | -57 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 540 | 10 | 2 | 10 | 3.8 | CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL1081133 | 6176 | 0 | UNDEFINED | -57 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 540 | 10 | 2 | 10 | 3.8 | CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC | None | |||
| 46882517 | 6215 | 0 | UNDEFINED | -32 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 398 | 7 | 1 | 7 | 4.2 | CCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC | None | |||
| CHEMBL1081317 | 6215 | 0 | UNDEFINED | -32 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 398 | 7 | 1 | 7 | 4.2 | CCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC | None | |||
| 46882224 | 6348 | 0 | UNDEFINED | -181 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 9 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1 | None | |||
| CHEMBL1082036 | 6348 | 0 | UNDEFINED | -181 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 543 | 10 | 1 | 9 | 4.7 | CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1 | None | |||
| 46882516 | 6349 | 0 | UNDEFINED | -27 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 431 | 7 | 1 | 6 | 5.4 | CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4s3)CC2)ccc1OC | None | |||
| CHEMBL1082040 | 6349 | 0 | UNDEFINED | -27 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 431 | 7 | 1 | 6 | 5.4 | CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4s3)CC2)ccc1OC | None | |||
| 11848624 | 89146 | 0 | UNDEFINED | -245 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | |||
| CHEMBL236587 | 89146 | 0 | UNDEFINED | -245 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 7 | 1 | 6 | 4.3 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | |||
| 24740752 | 89147 | 0 | UNDEFINED | -436 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 409 | 8 | 1 | 6 | 4.9 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCC(C)C | None | |||
| CHEMBL236588 | 89147 | 0 | UNDEFINED | -436 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 409 | 8 | 1 | 6 | 4.9 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCC(C)C | None | |||
| 24740863 | 89158 | 0 | UNDEFINED | -134 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | None | |||
| CHEMBL236610 | 89158 | 0 | UNDEFINED | -134 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 385 | 6 | 1 | 5 | 5.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl | None | |||
| 24740864 | 89159 | 0 | UNDEFINED | -269 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 365 | 6 | 1 | 5 | 4.6 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C | None | |||
| CHEMBL236611 | 89159 | 0 | UNDEFINED | -269 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 365 | 6 | 1 | 5 | 4.6 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C | None | |||
| 11848679 | 89244 | 0 | UNDEFINED | -776 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 489 | 9 | 3 | 9 | 2.9 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)cc(OCC)c1N | None | |||
| CHEMBL236788 | 89244 | 0 | UNDEFINED | -776 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 489 | 9 | 3 | 9 | 2.9 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)cc(OCC)c1N | None | |||
| 24740750 | 89707 | 0 | UNDEFINED | -151 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 6 | 4.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1O | None | |||
| CHEMBL237660 | 89707 | 0 | UNDEFINED | -151 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 6 | 4.0 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1O | None | |||
| 24740753 | 146117 | 0 | UNDEFINED | -33 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 8 | 1 | 6 | 4.7 | CCCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | |||
| CHEMBL391951 | 146117 | 0 | UNDEFINED | -33 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 395 | 8 | 1 | 6 | 4.7 | CCCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC | None | |||
| 24740751 | 147881 | 0 | UNDEFINED | -120 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 421 | 7 | 1 | 6 | 5.2 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC1CCCC1 | None | |||
| CHEMBL393333 | 147881 | 0 | UNDEFINED | -120 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 421 | 7 | 1 | 6 | 5.2 | COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OC1CCCC1 | None | |||
| 24740862 | 148008 | 0 | UNDEFINED | -51 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 6 | 1 | 5 | 4.4 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1F | None | |||
| CHEMBL393436 | 148008 | 0 | UNDEFINED | -51 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 6 | 1 | 5 | 4.4 | CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1F | None | |||
| 11848677 | 148352 | 0 | UNDEFINED | -32 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 460 | 8 | 2 | 8 | 3.0 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)ccc1OC | None | |||
| CHEMBL393718 | 148352 | 0 | UNDEFINED | -32 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 460 | 8 | 2 | 8 | 3.0 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)ccc1OC | None | |||
| None | 217624 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 6 | 1 | 6 | 4.8 | CCOC1=C(C=CC(=C1)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)OC | None | |||
| None | 217625 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 397 | 7 | 1 | 6 | 4.8 | CCOC1=C(C=CC(=C1)NC2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC | None | |||
| None | 217626 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 425 | 7 | 1 | 6 | 4.6 | CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3)OC | None | |||
| None | 217627 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 397 | 7 | 2 | 6 | 5.5 | CCOC1=C(C=CC(=C1)NC2CCC(CC2)NC3=NC4=CC=CC=C4S3)OC | None | |||
| None | 217628 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 411 | 8 | 2 | 6 | 5.2 | CCOC1=C(C=CC(=C1)NC2CCC(CC2)NCC3=NC4=CC=CC=C4S3)OC | None | |||
| None | 217629 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 5 | 1 | 6 | 4.1 | CCOC1=C(C=CC(=C1)N2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3)OC | None | |||
| None | 217630 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 405 | 8 | 2 | 6 | 6.1 | CCOC1=C(C=CC(=C1)NCC2=CC(=CC=C2)NC3=NC4=CC=CC=C4S3)OC | None | |||
| None | 217631 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=C(O3)C=CC=N4)OC | None | |||
| None | 217632 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 380 | 7 | 2 | 5 | 4.0 | CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4N3)OC | None | |||
| None | 217633 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 7 | 1 | 7 | 3.7 | CCOC1=C(N=CC(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4O3)OC | None | |||
| None | 217634 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 409 | 8 | 1 | 6 | 5.1 | CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4O3)OC(C)C | None | |||
| None | 217635 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 413 | 8 | 1 | 6 | 4.8 | CCOC1=CC(=C(C(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4O3)F)OCC | None | |||
| None | 217636 | 0 | UNDEFINED | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 429 | 9 | 2 | 7 | 3.8 | CCOC1=C(C=C(C(=C1)CN2CCC(CC2)NC3=NC4=CC=CC=C4O3)F)OCCO | None | |||
| 2055 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216097 | 0 | 125I-CGP23996 | -338 | 11 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| None | 216097 | 0 | 125I-Tyr11-SRIF | -338 | 11 | Mouse | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| 2054 | 3974 | 15 | 125I-Tyr10-CST14 | -72 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | 125I-Tyr10-CST14 | -72 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | 125I-Tyr10-CST14 | -72 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | 125I-Tyr10-CST14 | -72 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | 125I-Tyr10-CST14 | -72 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 13105142 | 216098 | 0 | 125I-Tyr10-CST14 | -301 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | |||
| None | 216348 | 0 | 125I-LTT-SST-28 | 91 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | |||
| None | 216349 | 0 | 125I-LTT-SST-28 | -3467 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 485 | 11 | 4 | 4 | 3.1 | COC(=O)C(CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C(C=C(C=C12)F)F)C3=CC=CC=C3 | None | |||
| None | 216349 | 0 | UNDEFINED | -3467 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 485 | 11 | 4 | 4 | 3.1 | COC(=O)C(CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C(C=C(C=C12)F)F)C3=CC=CC=C3 | None | |||
| 2055 | 2907 | 48 | 125I-LTT-SRIF28 | -40 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-LTT-SRIF28 | -40 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-LTT-SRIF28 | -40 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-LTT-SRIF28 | -40 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-LTT-SRIF28 | -40 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-LTT-SRIF28 | -40 | 14 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 13105142 | 216098 | 0 | 125I-LTT-SRIF28 | -301 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | |||
| 13105142 | 216098 | 0 | 125I-LTT-SRIF28 | -301 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | |||
| 2055 | 2907 | 48 | 125I-SOMATOSTATIN | -37 | 14 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-SOMATOSTATIN | -37 | 14 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-SOMATOSTATIN | -37 | 14 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-SOMATOSTATIN | -37 | 14 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-SOMATOSTATIN | -37 | 14 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-SOMATOSTATIN | -37 | 14 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 3974 | 15 | 125I-CGP23996 | -72 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | 125I-CGP23996 | -72 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | 125I-CGP23996 | -72 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | 125I-CGP23996 | -72 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | 125I-CGP23996 | -72 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -66 | 14 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -66 | 14 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -66 | 14 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -66 | 14 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -66 | 14 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-Tyr11-SRIF | -40 | 14 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -66 | 14 | Mouse | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216348 | 0 | Functional | 91 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | |||
| 2054 | 3974 | 15 | 125I-SRIF | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 3974 | 15 | 125I-SRIF-28 | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | 125I-SRIF | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | 125I-SRIF-28 | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | 125I-SRIF | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | 125I-SRIF-28 | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | 125I-SRIF | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | 125I-SRIF-28 | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | 125I-SRIF | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | 125I-SRIF-28 | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 16161315 | 216096 | 0 | 125I-LTT-SST-28 | -4 | 12 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 2055 | 2907 | 48 | 125I-Tyr10-CST14 | -40 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-Tyr10-CST14 | -40 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-Tyr10-CST14 | -40 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-Tyr10-CST14 | -40 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-Tyr10-CST14 | -40 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-Tyr10-CST14 | -40 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216097 | 0 | 125I-Tyr11-SRIF | -380 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| 13105142 | 216098 | 0 | 125I-CGP23996 | -301 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | |||
| 2054 | 3974 | 15 | 125I-Tyr11-SRIF | -77 | 11 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | 125I-Tyr11-SRIF | -77 | 11 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | 125I-Tyr11-SRIF | -77 | 11 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | 125I-Tyr11-SRIF | -77 | 11 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | 125I-Tyr11-SRIF | -77 | 11 | Mouse | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216097 | 0 | 125I-LTT-SST-28 | -380 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| None | 216348 | 0 | 125I-LTT-SST-28 | 91 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | |||
| None | 216348 | 0 | UNDEFINED | 91 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | |||
| None | 216097 | 0 | 125I-Tyr11-SRIF | -380 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| None | 216097 | 0 | 125I-Tyr11-somatostatin-14 | -338 | 11 | Mouse | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| None | 216097 | 0 | 125I-LTT-SST-28 | -380 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| 13105142 | 216098 | 0 | UNDEFINED | -301 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | |||
| 2055 | 2907 | 48 | 125I-CGP23996 | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-CGP23996 | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-CGP23996 | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-CGP23996 | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-CGP23996 | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-CGP23996 | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 2907 | 48 | 125I-Tyr11-SRIF | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-Tyr11-SRIF | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-Tyr11-SRIF | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-Tyr11-SRIF | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-Tyr11-SRIF | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-Tyr11-SRIF | -66 | 14 | Mouse | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 2907 | 48 | 125I-CGP23996 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-CGP23996 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-CGP23996 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-CGP23996 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-CGP23996 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-CGP23996 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 16161315 | 216096 | 0 | 125I-Tyr11-SRIF | -3 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | |||
| 2054 | 3974 | 15 | 125I-LTT-SST-28 | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | 125I-LTT-SST-28 | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | 125I-LTT-SST-28 | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | 125I-LTT-SST-28 | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | 125I-LTT-SST-28 | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216495 | 0 | 125I-LTT-SST-28 | -6165 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 3974 | 15 | UNDEFINED | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | UNDEFINED | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | UNDEFINED | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | UNDEFINED | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | UNDEFINED | -72 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216097 | 0 | 125I-SRIF | -380 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| None | 216097 | 0 | 125I-SRIF-28 | -380 | 11 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| 2055 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -40 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -40 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -40 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -40 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -40 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-Tyr11-somatostatin-14 | -40 | 14 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216346 | 0 | 125I-SOMATOSTATIN | -4 | 8 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 1077 | 14 | 12 | 13 | 0.6 | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O | None | |||
| 2055 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 2907 | 48 | UNDEFINED | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | UNDEFINED | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | UNDEFINED | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | UNDEFINED | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | UNDEFINED | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | UNDEFINED | -40 | 14 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2054 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | 125I-LTT-SRIF28 | -72 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2031 | 2273 | 0 | UNDEFINED | -56 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71349 | 2273 | 0 | UNDEFINED | -56 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB06791 | 2273 | 0 | UNDEFINED | -56 | 9 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| None | 216097 | 0 | 125I-SOMATOSTATIN | -269 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | |||
| 2055 | 2907 | 48 | 125I-SOMATOSTATIN 14 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 2907 | 48 | 125I-SRIF | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 2907 | 48 | 125I-SRIF-28 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-SOMATOSTATIN 14 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-SRIF | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-SRIF-28 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-SOMATOSTATIN 14 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-SRIF | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-SRIF-28 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-SOMATOSTATIN 14 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-SRIF | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-SRIF-28 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-SOMATOSTATIN 14 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-SRIF | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-SRIF-28 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-SOMATOSTATIN 14 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-SRIF | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-SRIF-28 | -40 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2055 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | 125I-LTT-SST-28 | -40 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 154734381 | 217714 | 0 | None | -1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 1095 | 17 | 13 | 14 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1 | None | |||
| None | 216346 | 0 | 125I-Tyr11-somatostatin-14 | -67 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 1077 | 14 | 12 | 13 | 0.6 | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O | None | |||
| None | 216346 | 0 | UNDEFINED | -67 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 1077 | 14 | 12 | 13 | 0.6 | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O | None | |||
| None | 216350 | 0 | 125I-LTT-SST-28 | -89 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 536 | 11 | 4 | 5 | 5.2 | CC(COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)N | None | |||
| None | 216350 | 0 | UNDEFINED | -89 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 536 | 11 | 4 | 5 | 5.2 | CC(COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)N | None | |||
| 2055 | 2907 | 48 | None | -37 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | None | -37 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | None | -37 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | None | -37 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | None | -37 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | None | -37 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| None | 216347 | 0 | 125I-LTT-SST-28 | -14454 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 585 | 8 | 5 | 5 | 4.2 | CC(C1=CNC2=CC=CC=C21)C(C(=O)NCC3CCCC(C3)CN)NC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O | None | |||
| None | 216347 | 0 | UNDEFINED | -14454 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 585 | 8 | 5 | 5 | 4.2 | CC(C1=CNC2=CC=CC=C21)C(C(=O)NCC3CCCC(C3)CN)NC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O | None | |||
| 154734381 | 217714 | 0 | None | -1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1095 | 17 | 13 | 14 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1 | None | |||
| 2055 | 2907 | 48 | None | -40 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 383414 | 2907 | 48 | None | -40 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 90488715 | 2907 | 48 | None | -40 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL1680 | 2907 | 48 | None | -40 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| CHEMBL262746 | 2907 | 48 | None | -40 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| DB00104 | 2907 | 48 | None | -40 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | |||||
| 2054 | 3974 | 15 | 125I-SOMATOSTATIN | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 71306 | 3974 | 15 | 125I-SOMATOSTATIN | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL264186 | 3974 | 15 | 125I-SOMATOSTATIN | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| CHEMBL3349523 | 3974 | 15 | 125I-SOMATOSTATIN | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| DB04894 | 3974 | 15 | 125I-SOMATOSTATIN | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
| 2052 | 2745 | 0 | None | -3 | 2 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2028 | 1506 | 0 | None | -112 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 10818261 | |||||
| 2029 | 2375 | 0 | None | -56 | 6 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 10818261 | |||||
| 2047 | 2215 | 0 | None | -56 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2047 | 2215 | 0 | None | -56 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2031 | 2273 | 0 | None | -213 | 9 | Rat | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 71349 | 2273 | 0 | None | -213 | 9 | Rat | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| DB06791 | 2273 | 0 | None | -213 | 9 | Rat | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2032 | 637 | 0 | None | -251 | 7 | Rat | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2066 | 3166 | 0 | None | -7 | 4 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | None | None | None | None | 9544214 | |||||
| 2067 | 3167 | 0 | None | -3 | 3 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | None | None | None | None | 9544214 | |||||
| 2036 | 643 | 0 | None | -4 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2036 | 643 | 0 | None | -4 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2054 | 3974 | 15 | None | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 71306 | 3974 | 15 | None | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL264186 | 3974 | 15 | None | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL3349523 | 3974 | 15 | None | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| DB04894 | 3974 | 15 | None | -281 | 11 | Rat | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2051 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2051 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2051 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2051 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2051 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 5311430 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 5311430 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 5311430 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 5311430 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 5311430 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| CHEMBL311695 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL311695 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL311695 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL311695 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL311695 | 3576 | 24 | None | -218 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 2051 | 3576 | 24 | None | -208 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 5311430 | 3576 | 24 | None | -208 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL311695 | 3576 | 24 | None | -208 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2034 | 639 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2034 | 639 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2073 | 2256 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 584 | 17 | 5 | 8 | 2.8 | NCCCC[C@@H](C(=O)OC)NC(=O)[C@H](NC(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)CCCC | 9784130 | |||
| 5311373 | 2256 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 584 | 17 | 5 | 8 | 2.8 | NCCCC[C@@H](C(=O)OC)NC(=O)[C@H](NC(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)CCCC | 9784130 | |||
| 2054 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2054 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2054 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 71306 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 71306 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 71306 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL264186 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL264186 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL264186 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL3349523 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL3349523 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL3349523 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| DB04894 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| DB04894 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| DB04894 | 3974 | 15 | None | -72 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2003 | 641 | 0 | None | -10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2055 | 2907 | 48 | None | -37 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 383414 | 2907 | 48 | None | -37 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 90488715 | 2907 | 48 | None | -37 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL1680 | 2907 | 48 | None | -37 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL262746 | 2907 | 48 | None | -37 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| DB00104 | 2907 | 48 | None | -37 | 14 | Rat | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 11443899 | 266 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(cn1)CC(CN1C[C@@H]2CCCC[C@@H]2[C@@H](C1)C(=O)N1CCN(CC1)c1ccc(c(c1)F)F)C | None | |||
| 2076 | 266 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(cn1)CC(CN1C[C@@H]2CCCC[C@@H]2[C@@H](C1)C(=O)N1CCN(CC1)c1ccc(c(c1)F)F)C | None | |||
| 2014 | 2214 | 0 | None | -4 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2014 | 2214 | 0 | None | -4 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2017 | 2744 | 0 | None | -2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2032 | 637 | 0 | None | -19 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2035 | 640 | 0 | None | -3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2069 | 652 | 0 | None | -1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2040 | 648 | 0 | None | -2 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2004 | 642 | 0 | None | -3 | 7 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2068 | 644 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2040 | 648 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2071 | 698 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 454 | 10 | 3 | 2 | 7.8 | CCCCCC1(CCCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 11520208 | |||
| 5311378 | 698 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 454 | 10 | 3 | 2 | 7.8 | CCCCCC1(CCCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 11520208 | |||
| 2004 | 642 | 0 | None | 2 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2004 | 642 | 0 | None | 2 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2004 | 642 | 0 | None | 2 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 16130961 | 891 | 0 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 16130961 | 891 | 0 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2005 | 891 | 0 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2005 | 891 | 0 | None | 1 | 6 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2007 | 1170 | 0 | None | 2 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2007 | 1170 | 0 | None | 2 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2031 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2031 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2031 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2031 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 71349 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 71349 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 71349 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 71349 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| DB06791 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| DB06791 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| DB06791 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| DB06791 | 2273 | 0 | None | -56 | 9 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2055 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2055 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2055 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| 2055 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2055 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2055 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 383414 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 383414 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 383414 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| 383414 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 383414 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 383414 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 90488715 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 90488715 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 90488715 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| 90488715 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 90488715 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 90488715 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| CHEMBL1680 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL1680 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL1680 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| CHEMBL1680 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL1680 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL1680 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| CHEMBL262746 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL262746 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL262746 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| CHEMBL262746 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL262746 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL262746 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| DB00104 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| DB00104 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| DB00104 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| DB00104 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| DB00104 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| DB00104 | 2907 | 48 | None | -40 | 14 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 2019 | 3675 | 0 | None | -10 | 10 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 44386062 | 3675 | 0 | None | -10 | 10 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL440072 | 3675 | 0 | None | -10 | 10 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 16133849 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 16133849 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 16133849 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 16133849 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| 16133849 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 16133849 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 16133849 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2020 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2020 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 2020 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2020 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| 2020 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2020 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2020 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 91935900 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 91935900 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 91935900 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 91935900 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| 91935900 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 91935900 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 91935900 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL501796 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL501796 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| CHEMBL501796 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL501796 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| CHEMBL501796 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL501796 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL501796 | 3676 | 12 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 16133849 | 3676 | 12 | None | -5 | 9 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2020 | 3676 | 12 | None | -5 | 9 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 91935900 | 3676 | 12 | None | -5 | 9 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| CHEMBL501796 | 3676 | 12 | None | -5 | 9 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | |||||
| 2070 | 697 | 5 | None | 3467 | 4 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 11520208 | |||
| 9802572 | 697 | 5 | None | 3467 | 4 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 11520208 | |||
| CHEMBL2069499 | 697 | 5 | None | 3467 | 4 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 11520208 | |||
| 2008 | 1211 | 0 | None | -1 | 6 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2008 | 1211 | 0 | None | -1 | 6 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 2008 | 1211 | 0 | None | -1 | 6 | Human | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 2019 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| 44386062 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8097479 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | |||||
| CHEMBL440072 | 3675 | 0 | None | 1 | 10 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | |||||