Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 90644395 | 111656 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 469 | 6 | 2 | 5 | 5.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290102 | 111656 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 469 | 6 | 2 | 5 | 5.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| 1574 | 2769 | 17 | None | -2754 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 1579 | 2769 | 17 | None | -2754 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 25077406 | 2769 | 17 | None | -2754 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 3830 | 2769 | 17 | None | -2754 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL407196 | 2769 | 17 | None | -2754 | 6 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 90644399 | 111660 | 1 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 4.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290106 | 111660 | 1 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 4.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| 119192 | 2446 | 48 | None | -1 | 4 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| 1582 | 2446 | 48 | None | -1 | 4 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| CHEMBL506981 | 2446 | 48 | None | -1 | 4 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| DB06455 | 2446 | 48 | None | -1 | 4 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| 118721825 | 115586 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 457 | 8 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| CHEMBL3356854 | 115586 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 457 | 8 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| 118721824 | 115585 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 469 | 6 | 2 | 6 | 4.5 | COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)O)CCCCC2)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| CHEMBL3356853 | 115585 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 469 | 6 | 2 | 6 | 4.5 | COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)O)CCCCC2)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| 90644392 | 111653 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 513 | 8 | 2 | 6 | 5.5 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290099 | 111653 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 513 | 8 | 2 | 6 | 5.5 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| 90644386 | 111647 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 6 | 2 | 5 | 5.8 | O=C(N[C@H](C(=O)O)C1CCCCC1)c1cc(-c2c(F)cccc2F)n(-c2ccnc3cc(Cl)ccc23)n1 | 10.1021/jm5003843 | ||
| CHEMBL3290093 | 111647 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 6 | 2 | 5 | 5.8 | O=C(N[C@H](C(=O)O)C1CCCCC1)c1cc(-c2c(F)cccc2F)n(-c2ccnc3cc(Cl)ccc23)n1 | 10.1021/jm5003843 | ||
| 90644394 | 111655 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 499 | 7 | 2 | 6 | 5.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290101 | 111655 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 499 | 7 | 2 | 6 | 5.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| 1580 | 3608 | 39 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.11.047 | ||
| 5311451 | 3608 | 39 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.11.047 | ||
| CHEMBL3040381 | 3608 | 39 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.11.047 | ||
| 90644398 | 111659 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290105 | 111659 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| 1580 | 3608 | 39 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| 5311451 | 3608 | 39 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| CHEMBL3040381 | 3608 | 39 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| 90644390 | 111651 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 520 | 7 | 2 | 7 | 4.9 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290097 | 111651 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 520 | 7 | 2 | 7 | 4.9 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 90644388 | 111649 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 548 | 7 | 2 | 7 | 5.7 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290095 | 111649 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 548 | 7 | 2 | 7 | 5.7 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 90644383 | 111644 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)O)C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc23)c1 | 10.1021/jm5003843 | ||
| CHEMBL3290090 | 111644 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)O)C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc23)c1 | 10.1021/jm5003843 | ||
| 1581 | 3613 | 7 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 10.1021/jm5003843 | ||
| 9915499 | 3613 | 7 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 10.1021/jm5003843 | ||
| CHEMBL461604 | 3613 | 7 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 10.1021/jm5003843 | ||
| 1580 | 3608 | 39 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm500857r | ||
| 5311451 | 3608 | 39 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm500857r | ||
| CHEMBL3040381 | 3608 | 39 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm500857r | ||
| 90644393 | 111654 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.5 | COc1ccccc1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290100 | 111654 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 5.5 | COc1ccccc1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| 90644385 | 111646 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 518 | 7 | 2 | 6 | 5.5 | COc1ccccc1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290092 | 111646 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 518 | 7 | 2 | 6 | 5.5 | COc1ccccc1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 90644397 | 111658 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 481 | 8 | 2 | 6 | 4.5 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290104 | 111658 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 481 | 8 | 2 | 6 | 4.5 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| 146159772 | 2281 | 29 | None | -3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| 1564 | 2281 | 29 | None | -3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| 1586 | 2281 | 29 | None | -3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| 54385 | 2281 | 29 | None | -3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| CHEMBL1615438 | 2281 | 29 | None | -3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| DB01106 | 2281 | 29 | None | -3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| 90644389 | 111650 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 534 | 7 | 2 | 7 | 5.3 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290096 | 111650 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 534 | 7 | 2 | 7 | 5.3 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 127051280 | 140194 | 1 | None | -2 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 523 | 11 | 2 | 6 | 5.6 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)O)nn1-c1ccc(F)cc1 | 10.1016/j.bmc.2016.06.018 | ||
| CHEMBL3817879 | 140194 | 1 | None | -2 | 2 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 523 | 11 | 2 | 6 | 5.6 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)O)nn1-c1ccc(F)cc1 | 10.1016/j.bmc.2016.06.018 | ||
| 127051011 | 140246 | 0 | None | 28 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 495 | 9 | 2 | 6 | 4.8 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)O)C2CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmc.2016.06.018 | ||
| CHEMBL3818506 | 140246 | 0 | None | 28 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 495 | 9 | 2 | 6 | 4.8 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)O)C2CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmc.2016.06.018 | ||
| 90644384 | 111645 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1ccc(-c2cc(C(=O)N[C@H](C(=O)O)C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc23)c(OC)c1 | 10.1021/jm5003843 | ||
| CHEMBL3290091 | 111645 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1ccc(-c2cc(C(=O)N[C@H](C(=O)O)C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc23)c(OC)c1 | 10.1021/jm5003843 | ||
| CHEMBL1766825 | 207116 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 118729840 | 117442 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL3403507 | 117442 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL1766946 | 207135 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 90644391 | 111652 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 504 | 6 | 2 | 6 | 5.3 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290098 | 111652 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 504 | 6 | 2 | 6 | 5.3 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 90644396 | 111657 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 519 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290103 | 111657 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 519 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL1766945 | 207134 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 90644399 | 111660 | 1 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 4.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290106 | 111660 | 1 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 4.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL1766944 | 207133 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 90644387 | 111648 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 576 | 9 | 2 | 7 | 6.1 | CCc1c(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn(-c2ccnc3cc(Cl)ccc23)c1-c1c(OC)cccc1OC | 10.1021/jm5003843 | ||
| CHEMBL3290094 | 111648 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 576 | 9 | 2 | 7 | 6.1 | CCc1c(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn(-c2ccnc3cc(Cl)ccc23)c1-c1c(OC)cccc1OC | 10.1021/jm5003843 | ||
| 118729841 | 117443 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 4.7 | COc1ccccc1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL3403508 | 117443 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 4.7 | COc1ccccc1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| 118721826 | 115587 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 483 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1nc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| CHEMBL3356855 | 115587 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 483 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1nc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| 1574 | 2769 | 17 | None | -338 | 6 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 1579 | 2769 | 17 | None | -338 | 6 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 25077406 | 2769 | 17 | None | -338 | 6 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 3830 | 2769 | 17 | None | -338 | 6 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| CHEMBL407196 | 2769 | 17 | None | -338 | 6 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 90644398 | 111659 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290105 | 111659 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| 90644399 | 111660 | 1 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 4.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290106 | 111660 | 1 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 4.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| 1574 | 2769 | 17 | None | -338 | 6 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 1579 | 2769 | 17 | None | -338 | 6 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 25077406 | 2769 | 17 | None | -338 | 6 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 3830 | 2769 | 17 | None | -338 | 6 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| CHEMBL407196 | 2769 | 17 | None | -338 | 6 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 118711921 | 113560 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 457 | 9 | 3 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)cc1 | 10.1021/jm500857r | ||
| CHEMBL3326832 | 113560 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 457 | 9 | 3 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)cc1 | 10.1021/jm500857r | ||
| 101873359 | 113559 | 19 | None | - | 1 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 553 | 10 | 3 | 6 | 4.1 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1 | 10.1021/jm500857r | ||
| CHEMBL3326831 | 113559 | 19 | None | - | 1 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 553 | 10 | 3 | 6 | 4.1 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1 | 10.1021/jm500857r | ||
| 1574 | 2769 | 17 | None | -338 | 6 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 1579 | 2769 | 17 | None | -338 | 6 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 25077406 | 2769 | 17 | None | -338 | 6 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 3830 | 2769 | 17 | None | -338 | 6 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| CHEMBL407196 | 2769 | 17 | None | -338 | 6 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| CHEMBL342252 | 209927 | 0 | None | -16 | 4 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm5003843 | ||||
| 146159772 | 2281 | 29 | None | 3 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 1564 | 2281 | 29 | None | 3 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 1586 | 2281 | 29 | None | 3 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 54385 | 2281 | 29 | None | 3 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| CHEMBL1615438 | 2281 | 29 | None | 3 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| DB01106 | 2281 | 29 | None | 3 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 1578 | 2730 | 0 | None | 2 | 2 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 9940301 | 2730 | 0 | None | 2 | 2 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 1575 | 1142 | 0 | None | -1 | 3 | Rat | 6.1 | pIC50 | None | 6.1 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 101205709 | 3754 | 0 | None | -6 | 3 | Rat | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 1573 | 3754 | 0 | None | -6 | 3 | Rat | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 119192 | 2446 | 48 | None | -1 | 4 | Mouse | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9480852 | ||
| 1582 | 2446 | 48 | None | -1 | 4 | Mouse | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9480852 | ||
| CHEMBL506981 | 2446 | 48 | None | -1 | 4 | Mouse | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9480852 | ||
| DB06455 | 2446 | 48 | None | -1 | 4 | Mouse | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 9480852 | ||
| 1584 | 1468 | 0 | None | - | 1 | Mouse | 7.6 | pIC50 | None | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 146159772 | 2281 | 29 | None | -3 | 2 | Rat | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8647296 | ||
| 1564 | 2281 | 29 | None | -3 | 2 | Rat | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8647296 | ||
| 1586 | 2281 | 29 | None | -3 | 2 | Rat | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8647296 | ||
| 54385 | 2281 | 29 | None | -3 | 2 | Rat | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8647296 | ||
| CHEMBL1615438 | 2281 | 29 | None | -3 | 2 | Rat | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8647296 | ||
| DB01106 | 2281 | 29 | None | -3 | 2 | Rat | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8647296 | ||
| 1574 | 2769 | 17 | None | -338 | 6 | Rat | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 1579 | 2769 | 17 | None | -338 | 6 | Rat | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 25077406 | 2769 | 17 | None | -338 | 6 | Rat | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 3830 | 2769 | 17 | None | -338 | 6 | Rat | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| CHEMBL407196 | 2769 | 17 | None | -338 | 6 | Rat | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 1578 | 2730 | 0 | None | -2 | 2 | Rat | 8.3 | pIC50 | None | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 8647296 | ||||
| 9940301 | 2730 | 0 | None | -2 | 2 | Rat | 8.3 | pIC50 | None | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 8647296 | ||||
| 146159772 | 2281 | 29 | None | 3 | 2 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 9480852 | ||
| 1564 | 2281 | 29 | None | 3 | 2 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 9480852 | ||
| 1586 | 2281 | 29 | None | 3 | 2 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 9480852 | ||
| 54385 | 2281 | 29 | None | 3 | 2 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 9480852 | ||
| CHEMBL1615438 | 2281 | 29 | None | 3 | 2 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 9480852 | ||
| DB01106 | 2281 | 29 | None | 3 | 2 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 9480852 | ||
| 1574 | 2769 | 17 | None | -63 | 6 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 1579 | 2769 | 17 | None | -63 | 6 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 25077406 | 2769 | 17 | None | -63 | 6 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 3830 | 2769 | 17 | None | -63 | 6 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| CHEMBL407196 | 2769 | 17 | None | -63 | 6 | Mouse | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 1587 | 4042 | 0 | None | - | 1 | Mouse | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 16131039 | 4042 | 0 | None | - | 1 | Mouse | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 90470037 | 4042 | 0 | None | - | 1 | Mouse | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 1585 | 3809 | 0 | None | - | 1 | Mouse | 8.9 | pIC50 | None | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 1574 | 2769 | 17 | None | -338 | 6 | Rat | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 8647296 | ||||
| 1579 | 2769 | 17 | None | -338 | 6 | Rat | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 8647296 | ||||
| 25077406 | 2769 | 17 | None | -338 | 6 | Rat | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 8647296 | ||||
| 3830 | 2769 | 17 | None | -338 | 6 | Rat | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 8647296 | ||||
| CHEMBL407196 | 2769 | 17 | None | -338 | 6 | Rat | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 8647296 | ||||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 16127648 | 14250 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | ||
| CHEMBL1172376 | 14250 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | ||
| CHEMBL1200171 | 14250 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | ||
| 44354086 | 116279 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 843 | 23 | 10 | 13 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN1CCN=C1N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL337721 | 116279 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 843 | 23 | 10 | 13 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN1CCN=C1N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL3622802 | 210134 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL336836 | 209842 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CCNC(=N)NCCC[C@H](N)C(=O)/N=C(/N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/jm0300633 | ||||
| 44354244 | 167762 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 831 | 23 | 11 | 11 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCC/N=C(/N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL434227 | 167762 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 831 | 23 | 11 | 11 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCC/N=C(/N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354075 | 116266 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 803 | 24 | 10 | 11 | -0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL337644 | 116266 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 803 | 24 | 10 | 11 | -0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354087 | 22282 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 845 | 24 | 12 | 13 | -1.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC1NCCN1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL132524 | 22282 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 845 | 24 | 12 | 13 | -1.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC1NCCN1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354120 | 22145 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 816 | 23 | 11 | 11 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL132409 | 22145 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 816 | 23 | 11 | 11 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL258221 | 208771 | 13 | None | -2 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | ||||
| 44354212 | 116201 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 803 | 24 | 10 | 11 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL337260 | 116201 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 803 | 24 | 10 | 11 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 11657884 | 115699 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 803 | 22 | 10 | 11 | -0.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL335846 | 115699 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 803 | 22 | 10 | 11 | -0.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL3622804 | 210136 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | ||||
| 44354245 | 167284 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 788 | 23 | 10 | 11 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL430910 | 167284 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 788 | 23 | 10 | 11 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL342252 | 209927 | 0 | None | -14 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||||
| 44354085 | 22265 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 817 | 24 | 9 | 11 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL132507 | 22265 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 817 | 24 | 9 | 11 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL3622806 | 210138 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL3622803 | 210135 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL3622805 | 210137 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | ||||
| 44354304 | 116554 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 774 | 22 | 10 | 11 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL339139 | 116554 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 774 | 22 | 10 | 11 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354211 | 22582 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 846 | 25 | 10 | 10 | 0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL132794 | 22582 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 846 | 25 | 10 | 10 | 0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354305 | 23810 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 832 | 24 | 10 | 10 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL133798 | 23810 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 832 | 24 | 10 | 10 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354303 | 23255 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 788 | 23 | 10 | 11 | -0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL133340 | 23255 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 788 | 23 | 10 | 11 | -0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354113 | 23892 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 831 | 25 | 9 | 11 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL133850 | 23892 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 831 | 25 | 9 | 11 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL439494 | 212094 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0300633 | ||||
| CHEMBL3622801 | 210133 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O | 10.1021/acs.jmedchem.5b00841 | ||||
| 44354302 | 23308 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 803 | 23 | 9 | 11 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL133378 | 23308 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 803 | 23 | 9 | 11 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCN(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354154 | 19335 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 818 | 23 | 10 | 10 | 0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL129953 | 19335 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 818 | 23 | 10 | 10 | 0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354121 | 167920 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 826 | 22 | 10 | 10 | 0.7 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL435199 | 167920 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 826 | 22 | 10 | 10 | 0.7 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 44354112 | 23891 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 817 | 25 | 10 | 11 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| CHEMBL133849 | 23891 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 817 | 25 | 10 | 11 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC/N=C(/N)NC(=O)[C@@H](N)CCCCCNC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm0300633 | ||
| 1569 | 2095 | 27 | None | -2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| 5311318 | 2095 | 27 | None | -2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL415788 | 2095 | 27 | None | -2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL1766928 | 207122 | 0 | None | -5 | 2 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| CHEMBL342252 | 209927 | 0 | None | -14 | 4 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm401491e | ||||
| 16127648 | 14250 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | ||
| CHEMBL1172376 | 14250 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | ||
| CHEMBL1200171 | 14250 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 817 | 22 | 9 | 8 | 1.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O | 10.1021/jm100092s | ||
| 162675694 | 182861 | 0 | None | 25 | 5 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1422 | 36 | 20 | 16 | -0.2 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4798887 | 182861 | 0 | None | 25 | 5 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1422 | 36 | 20 | 16 | -0.2 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| 162669697 | 182138 | 0 | None | 4 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1394 | 36 | 20 | 16 | -0.8 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4789659 | 182138 | 0 | None | 4 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1394 | 36 | 20 | 16 | -0.8 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| 162646561 | 179061 | 0 | None | 20 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 859 | 23 | 13 | 10 | -0.1 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4742999 | 179061 | 0 | None | 20 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 859 | 23 | 13 | 10 | -0.1 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acs.jmedchem.0c01376 | ||
| 162657942 | 180405 | 0 | None | 44 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1366 | 36 | 16 | 16 | 1.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4758754 | 180405 | 0 | None | 44 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1366 | 36 | 16 | 16 | 1.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| 162648776 | 179192 | 0 | None | 7 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1338 | 36 | 16 | 16 | 0.9 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4744531 | 179192 | 0 | None | 7 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1338 | 36 | 16 | 16 | 0.9 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| 162649599 | 179585 | 0 | None | 21 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1380 | 37 | 16 | 16 | 1.9 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4749016 | 179585 | 0 | None | 21 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1380 | 37 | 16 | 16 | 1.9 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| 162648890 | 179316 | 0 | None | 5 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1394 | 36 | 20 | 16 | -0.8 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4745899 | 179316 | 0 | None | 5 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1394 | 36 | 20 | 16 | -0.8 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| 155522777 | 175959 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 816 | 22 | 13 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4452276 | 175959 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 816 | 22 | 13 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4597094 | 175959 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 816 | 22 | 13 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01376 | ||
| 162649323 | 179437 | 0 | None | 7 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1338 | 36 | 16 | 16 | 0.9 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4747286 | 179437 | 0 | None | 7 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1338 | 36 | 16 | 16 | 0.9 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| 1569 | 2095 | 27 | None | -2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01376 | ||||
| 5311318 | 2095 | 27 | None | -2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01376 | ||||
| CHEMBL415788 | 2095 | 27 | None | -2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01376 | ||||
| 54582126 | 60960 | 0 | None | -2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| CHEMBL1766935 | 60960 | 0 | None | -2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| CHEMBL254769 | 208766 | 0 | None | 2 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 127032102 | 138668 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3786852 | 138668 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787704 | 138668 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 931 | 28 | 14 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| 1569 | 2095 | 27 | None | -2 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 5311318 | 2095 | 27 | None | -2 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL415788 | 2095 | 27 | None | -2 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 155547078 | 175962 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4534768 | 175962 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4597104 | 175962 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1456 | 42 | 15 | 15 | 5.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 1569 | 2095 | 27 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 5311318 | 2095 | 27 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| CHEMBL415788 | 2095 | 27 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 1569 | 2095 | 27 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.10.039 | ||||
| 5311318 | 2095 | 27 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.10.039 | ||||
| CHEMBL415788 | 2095 | 27 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.10.039 | ||||
| 127030965 | 138673 | 0 | None | 5 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 155559776 | 138673 | 0 | None | 5 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL3787709 | 138673 | 0 | None | 5 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4564746 | 138673 | 0 | None | 5 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1396 | 38 | 14 | 12 | 6.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCCN1/C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 1569 | 2095 | 27 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | ||||
| 5311318 | 2095 | 27 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | ||||
| CHEMBL415788 | 2095 | 27 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | ||||
| 162647042 | 179034 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1406 | 33 | 19 | 16 | -0.6 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2Cc3ccc(O)cc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4742666 | 179034 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1406 | 33 | 19 | 16 | -0.6 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N2Cc3ccc(O)cc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL267714 | 208983 | 0 | None | 17 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||||
| 162645305 | 178908 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 716 | 17 | 10 | 10 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C/C=C\C[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4740987 | 178908 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 716 | 17 | 10 | 10 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C/C=C\C[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL1766943 | 207132 | 0 | None | 100 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccccn1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| CHEMBL254770 | 208767 | 0 | None | 30 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 90644386 | 111647 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 524 | 6 | 2 | 5 | 5.8 | O=C(N[C@H](C(=O)O)C1CCCCC1)c1cc(-c2c(F)cccc2F)n(-c2ccnc3cc(Cl)ccc23)n1 | 10.1021/jm5003843 | ||
| CHEMBL3290093 | 111647 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 524 | 6 | 2 | 5 | 5.8 | O=C(N[C@H](C(=O)O)C1CCCCC1)c1cc(-c2c(F)cccc2F)n(-c2ccnc3cc(Cl)ccc23)n1 | 10.1021/jm5003843 | ||
| 90644390 | 111651 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 4.9 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290097 | 111651 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 4.9 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 90644396 | 111657 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290103 | 111657 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| 134144300 | 149667 | 0 | None | 45 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 892 | 23 | 10 | 10 | 1.1 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)CCO[C@@H]1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3951982 | 149667 | 0 | None | 45 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 892 | 23 | 10 | 10 | 1.1 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)CCO[C@@H]1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 162667718 | 181948 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 716 | 17 | 10 | 10 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4787256 | 181948 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 716 | 17 | 10 | 10 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 162664124 | 181489 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)C/C=C/CNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4781448 | 181489 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)C/C=C/CNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 134138287 | 147304 | 0 | None | 3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 779 | 19 | 9 | 9 | 0.6 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3932989 | 147304 | 0 | None | 3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 779 | 19 | 9 | 9 | 0.6 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 90644394 | 111655 | 0 | None | 10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290101 | 111655 | 0 | None | 10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| 90644387 | 111648 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 6.1 | CCc1c(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn(-c2ccnc3cc(Cl)ccc23)c1-c1c(OC)cccc1OC | 10.1021/jm5003843 | ||
| CHEMBL3290094 | 111648 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 6.1 | CCc1c(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn(-c2ccnc3cc(Cl)ccc23)c1-c1c(OC)cccc1OC | 10.1021/jm5003843 | ||
| 134145547 | 148442 | 0 | None | 72 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 920 | 23 | 12 | 10 | 0.2 | CC[C@H](C)[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3942198 | 148442 | 0 | None | 72 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 920 | 23 | 12 | 10 | 0.2 | CC[C@H](C)[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 134155365 | 150661 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 859 | 23 | 13 | 11 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@@H]1c1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3959801 | 150661 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 859 | 23 | 13 | 11 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@@H]1c1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL2369509 | 207885 | 0 | None | 5 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)N(CC(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN | 10.1021/jm200006c | ||||
| 118729839 | 117441 | 0 | None | 79 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL3403506 | 117441 | 0 | None | 79 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2015.03.083 | ||
| 162657409 | 180526 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 830 | 19 | 11 | 11 | -0.0 | CC[C@@H](C)[C@H](NC(=O)[C@@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4760222 | 180526 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 830 | 19 | 11 | 11 | -0.0 | CC[C@@H](C)[C@H](NC(=O)[C@@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL1766927 | 207121 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 162660324 | 180683 | 0 | None | 51 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 828 | 19 | 12 | 10 | -0.9 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4761958 | 180683 | 0 | None | 51 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 828 | 19 | 12 | 10 | -0.9 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01376 | ||
| 90644398 | 111659 | 0 | None | 22 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290105 | 111659 | 0 | None | 22 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL1766932 | 207126 | 0 | None | 6 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 118729838 | 117440 | 0 | None | 51 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL3403505 | 117440 | 0 | None | 51 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2015.03.083 | ||
| 90644385 | 111646 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 518 | 7 | 2 | 6 | 5.5 | COc1ccccc1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290092 | 111646 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 518 | 7 | 2 | 6 | 5.5 | COc1ccccc1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 134143837 | 150018 | 0 | None | 9 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 807 | 19 | 11 | 9 | -0.3 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3954824 | 150018 | 0 | None | 9 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 807 | 19 | 11 | 9 | -0.3 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 134142369 | 145043 | 0 | None | 67 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 892 | 23 | 10 | 10 | 1.1 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@@H]1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3915284 | 145043 | 0 | None | 67 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 892 | 23 | 10 | 10 | 1.1 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@@H]1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 162664045 | 181545 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 754 | 17 | 10 | 12 | -0.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4782113 | 181545 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 754 | 17 | 10 | 12 | -0.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 118711921 | 113560 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 457 | 9 | 3 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)cc1 | 10.1021/jm500857r | ||
| CHEMBL3326832 | 113560 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 457 | 9 | 3 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)cc1 | 10.1021/jm500857r | ||
| 90644389 | 111650 | 0 | None | 1 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.3 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290096 | 111650 | 0 | None | 1 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.3 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 90644399 | 111660 | 1 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 6 | 2 | 5 | 4.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290106 | 111660 | 1 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 437 | 6 | 2 | 5 | 4.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| 90644384 | 111645 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1ccc(-c2cc(C(=O)N[C@H](C(=O)O)C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc23)c(OC)c1 | 10.1021/jm5003843 | ||
| CHEMBL3290091 | 111645 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1ccc(-c2cc(C(=O)N[C@H](C(=O)O)C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc23)c(OC)c1 | 10.1021/jm5003843 | ||
| 162660488 | 180783 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1646 | 51 | 24 | 21 | -3.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4763222 | 180783 | 0 | None | 10 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1646 | 51 | 24 | 21 | -3.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 54582127 | 60961 | 0 | None | -4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)C[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| CHEMBL1766936 | 60961 | 0 | None | -4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)C[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| 137645783 | 157206 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 726 | 25 | 9 | 10 | -0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| CHEMBL4082440 | 157206 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 726 | 25 | 9 | 10 | -0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| CHEMBL1766940 | 207129 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N(CC(=O)O)CC(C)C | 10.1021/jm200006c | ||||
| 134146201 | 148411 | 0 | None | 7 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 779 | 19 | 9 | 9 | 0.6 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3941970 | 148411 | 0 | None | 7 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 779 | 19 | 9 | 9 | 0.6 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL253527 | 208765 | 0 | None | 12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 168269036 | 189421 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 895 | 28 | 14 | 13 | -1.4 | CC(C)C[C@H](NC(=O)[C@@H](CCSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | ||
| CHEMBL5171551 | 189421 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 895 | 28 | 14 | 13 | -1.4 | CC(C)C[C@H](NC(=O)[C@@H](CCSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | ||
| 90644388 | 111649 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 548 | 7 | 2 | 7 | 5.7 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290095 | 111649 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 548 | 7 | 2 | 7 | 5.7 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 1574 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 1579 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 25077406 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 3830 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| CHEMBL407196 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 134134595 | 143088 | 0 | None | 34 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 808 | 21 | 8 | 10 | 0.6 | CC(C)C[C@H](NC(=O)CNC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3899699 | 143088 | 0 | None | 34 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 808 | 21 | 8 | 10 | 0.6 | CC(C)C[C@H](NC(=O)CNC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 127032412 | 138670 | 0 | None | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3785364 | 138670 | 0 | None | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3786291 | 138670 | 0 | None | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787706 | 138670 | 0 | None | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL4579623 | 138670 | 0 | None | -4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 987 | 30 | 14 | 11 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.5b01495 | ||
| 162668357 | 181891 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1614 | 47 | 22 | 20 | -3.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4786574 | 181891 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1614 | 47 | 22 | 20 | -3.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 162644976 | 178869 | 0 | None | 1318 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 787 | 20 | 8 | 10 | 1.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4740539 | 178869 | 0 | None | 1318 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 787 | 20 | 8 | 10 | 1.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2cc(O)ccc2CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL1766942 | 207131 | 0 | None | 131 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 162662194 | 180875 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 813 | 18 | 10 | 11 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4764437 | 180875 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 813 | 18 | 10 | 11 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 101873359 | 113559 | 19 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 553 | 10 | 3 | 6 | 4.1 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1 | 10.1021/jm500857r | ||
| CHEMBL3326831 | 113559 | 19 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 553 | 10 | 3 | 6 | 4.1 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1 | 10.1021/jm500857r | ||
| 134136231 | 141943 | 0 | None | 10 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 751 | 19 | 7 | 9 | 1.4 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3890335 | 141943 | 0 | None | 10 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 751 | 19 | 7 | 9 | 1.4 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 1574 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 1579 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 25077406 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 3830 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| CHEMBL407196 | 2769 | 17 | None | -107 | 6 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| CHEMBL411195 | 211122 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN(CCCCN)C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 44447826 | 96507 | 0 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| CHEMBL266230 | 96507 | 0 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| 162652765 | 179849 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 716 | 17 | 10 | 10 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C/C=C\C[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4752398 | 179849 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 716 | 17 | 10 | 10 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C/C=C\C[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 134140868 | 146207 | 0 | None | 56 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 864 | 23 | 8 | 10 | 2.0 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCO[C@@H]1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3924268 | 146207 | 0 | None | 56 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 864 | 23 | 8 | 10 | 2.0 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCO[C@@H]1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 162667305 | 181980 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 812 | 13 | 8 | 9 | 3.0 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)C/C=C/CCCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4787727 | 181980 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 812 | 13 | 8 | 9 | 3.0 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)C/C=C/CCCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 162677287 | 182897 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 816 | 22 | 13 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4799352 | 182897 | 0 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 816 | 22 | 13 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL1766924 | 207118 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 54583075 | 60964 | 0 | None | -3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)CC(C)C | 10.1021/jm200006c | ||
| CHEMBL1766939 | 60964 | 0 | None | -3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)CC(C)C | 10.1021/jm200006c | ||
| 162658073 | 180423 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 813 | 17 | 10 | 11 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4758998 | 180423 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 813 | 17 | 10 | 11 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 137646112 | 157377 | 0 | None | 21 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 726 | 26 | 9 | 10 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| CHEMBL4084378 | 157377 | 0 | None | 21 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 726 | 26 | 9 | 10 | -0.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| 90644393 | 111654 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 5.5 | COc1ccccc1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290100 | 111654 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 5.5 | COc1ccccc1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| 134136231 | 141943 | 0 | None | 10 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 751 | 19 | 7 | 9 | 1.4 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3890335 | 141943 | 0 | None | 10 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 751 | 19 | 7 | 9 | 1.4 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 118729840 | 117442 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 467 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL3403507 | 117442 | 0 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 467 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| 1574 | 2769 | 17 | None | -107 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 1579 | 2769 | 17 | None | -107 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 25077406 | 2769 | 17 | None | -107 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 3830 | 2769 | 17 | None | -107 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| CHEMBL407196 | 2769 | 17 | None | -107 | 6 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 134138287 | 147304 | 0 | None | 3 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 779 | 19 | 9 | 9 | 0.6 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3932989 | 147304 | 0 | None | 3 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 779 | 19 | 9 | 9 | 0.6 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 134153118 | 152068 | 0 | None | 1202 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 802 | 21 | 13 | 11 | -2.2 | CC(C)C[C@H](NC(=O)CNC(=O)[C@@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@H]1c1ccc(O)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3971946 | 152068 | 0 | None | 1202 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 802 | 21 | 13 | 11 | -2.2 | CC(C)C[C@H](NC(=O)CNC(=O)[C@@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@H]1c1ccc(O)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 162660385 | 180622 | 0 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1358 | 40 | 14 | 15 | 3.0 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4761165 | 180622 | 0 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1358 | 40 | 14 | 15 | 3.0 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acs.jmedchem.0c01376 | ||
| 162659782 | 180739 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 845 | 22 | 13 | 10 | -0.5 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4762684 | 180739 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 845 | 22 | 13 | 10 | -0.5 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/acs.jmedchem.0c01376 | ||
| 155569717 | 175665 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4537266 | 175665 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4594723 | 175665 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1657 | 48 | 16 | 20 | 4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 155569737 | 176061 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4457798 | 176061 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4597941 | 176061 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1597 | 44 | 16 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 146159772 | 2281 | 29 | None | -2 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| 1564 | 2281 | 29 | None | -2 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| 1586 | 2281 | 29 | None | -2 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| 54385 | 2281 | 29 | None | -2 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| CHEMBL1615438 | 2281 | 29 | None | -2 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| DB01106 | 2281 | 29 | None | -2 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 10.1021/jm5003843 | ||
| CHEMBL342252 | 209927 | 0 | None | -338 | 4 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm5003843 | ||||
| CHEMBL2369509 | 207885 | 0 | None | 5 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)N(CC(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN | 10.1021/jm200006c | ||||
| 54580109 | 60965 | 0 | None | 251 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 862 | 24 | 11 | 8 | 3.0 | C=C(N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCCNC(=N)N | 10.1021/jm200006c | ||
| CHEMBL1766947 | 60965 | 0 | None | 251 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 862 | 24 | 11 | 8 | 3.0 | C=C(N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCCNC(=N)N | 10.1021/jm200006c | ||
| 162646717 | 179028 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1671 | 50 | 23 | 21 | -4.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(N)=O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4742361 | 179028 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1671 | 50 | 23 | 21 | -4.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(N)=O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL1766934 | 207128 | 1 | None | -2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| CHEMBL1766941 | 207130 | 0 | None | 1230 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(OC)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 162667051 | 181941 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 703 | 20 | 12 | 9 | -1.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4787163 | 181941 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 703 | 20 | 12 | 9 | -1.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 1574 | 2769 | 17 | None | -15 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| 1579 | 2769 | 17 | None | -15 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| 25077406 | 2769 | 17 | None | -15 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| 3830 | 2769 | 17 | None | -15 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| CHEMBL407196 | 2769 | 17 | None | -15 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| 168274909 | 189655 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 995 | 31 | 15 | 14 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | ||
| CHEMBL5175252 | 189655 | 0 | None | 2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 995 | 31 | 15 | 14 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | ||
| CHEMBL1766946 | 207135 | 0 | None | 7413 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| CHEMBL1766945 | 207134 | 0 | None | 1905 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 162668803 | 182153 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)C/C=C/CNCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4789911 | 182153 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)C/C=C/CNCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 162655533 | 180199 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1646 | 51 | 24 | 21 | -3.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4756326 | 180199 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1646 | 51 | 24 | 21 | -3.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 1574 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 1579 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 25077406 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 3830 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL407196 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 1574 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| 1579 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| 25077406 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| 3830 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| CHEMBL407196 | 2769 | 17 | None | -15 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| 119192 | 2446 | 48 | None | -114 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2013.04.075 | ||
| 1582 | 2446 | 48 | None | -114 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2013.04.075 | ||
| CHEMBL506981 | 2446 | 48 | None | -114 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2013.04.075 | ||
| DB06455 | 2446 | 48 | None | -114 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmc.2013.04.075 | ||
| 137651580 | 156564 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 712 | 24 | 9 | 10 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| CHEMBL4074624 | 156564 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 712 | 24 | 9 | 10 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| 54585023 | 60962 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| CHEMBL1766937 | 60962 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](NC(=O)C[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| 118721826 | 115587 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 483 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1nc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| CHEMBL3356855 | 115587 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 483 | 7 | 2 | 6 | 4.7 | COc1cccc(OC)c1-c1nc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| 137651867 | 156706 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 734 | 24 | 9 | 10 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| CHEMBL4076517 | 156706 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 734 | 24 | 9 | 10 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| 134143837 | 150018 | 0 | None | 9 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 807 | 19 | 11 | 9 | -0.3 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3954824 | 150018 | 0 | None | 9 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 807 | 19 | 11 | 9 | -0.3 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 168283408 | 190297 | 0 | None | 3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1009 | 32 | 15 | 14 | -0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | ||
| CHEMBL5184967 | 190297 | 0 | None | 3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1009 | 32 | 15 | 14 | -0.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSSCCN)C(=O)O | 10.1016/j.bmc.2022.116720 | ||
| 54585990 | 60963 | 0 | None | 46 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N | 10.1021/jm200006c | ||
| CHEMBL1766938 | 60963 | 0 | None | 46 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.7 | CC[C@H](C)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N | 10.1021/jm200006c | ||
| CHEMBL1766929 | 207123 | 1 | None | -8 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 1580 | 3608 | 39 | None | -6 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm500857r | ||
| 5311451 | 3608 | 39 | None | -6 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm500857r | ||
| CHEMBL3040381 | 3608 | 39 | None | -6 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm500857r | ||
| 162669302 | 182080 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 716 | 17 | 10 | 10 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4788991 | 182080 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 716 | 17 | 10 | 10 | -0.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 134134595 | 143088 | 0 | None | 34 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 808 | 21 | 8 | 10 | 0.6 | CC(C)C[C@H](NC(=O)CNC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3899699 | 143088 | 0 | None | 34 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 808 | 21 | 8 | 10 | 0.6 | CC(C)C[C@H](NC(=O)CNC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL1766930 | 207124 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 90644391 | 111652 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 5.3 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290098 | 111652 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 5.3 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 90644392 | 111653 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 513 | 8 | 2 | 6 | 5.5 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290099 | 111653 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 513 | 8 | 2 | 6 | 5.5 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| 168291832 | 191266 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 881 | 27 | 14 | 13 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](CSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | ||
| CHEMBL5199274 | 191266 | 0 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 881 | 27 | 14 | 13 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](CSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1016/j.bmc.2022.116720 | ||
| CHEMBL1766923 | 207117 | 0 | None | -12 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL408057 | 210949 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||||
| CHEMBL1766931 | 207125 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 1580 | 3608 | 39 | None | -6 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| 5311451 | 3608 | 39 | None | -6 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| CHEMBL3040381 | 3608 | 39 | None | -6 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| CHEMBL258221 | 208771 | 13 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 1569 | 2095 | 27 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | ||||
| 5311318 | 2095 | 27 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | ||||
| CHEMBL415788 | 2095 | 27 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | ||||
| CHEMBL1766944 | 207133 | 0 | None | 11748 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 162651256 | 179754 | 0 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4751221 | 179754 | 0 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 134146201 | 148411 | 0 | None | 7 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 779 | 19 | 9 | 9 | 0.6 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3941970 | 148411 | 0 | None | 7 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 779 | 19 | 9 | 9 | 0.6 | CC(C)C[C@H](NC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)CCOC1c1ccc(Br)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 90644383 | 111644 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)O)C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc23)c1 | 10.1021/jm5003843 | ||
| CHEMBL3290090 | 111644 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)O)C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc23)c1 | 10.1021/jm5003843 | ||
| 134145567 | 148586 | 0 | None | 16 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 920 | 23 | 12 | 10 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@@H]1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3943248 | 148586 | 0 | None | 16 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 920 | 23 | 12 | 10 | 0.2 | CC[C@H](C)[C@H](NC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@@H]1c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 137656771 | 159117 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 712 | 25 | 9 | 10 | -0.6 | CC[C@H](C)[C@H](NC(=O)C(CCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| CHEMBL4103884 | 159117 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 712 | 25 | 9 | 10 | -0.6 | CC[C@H](C)[C@H](NC(=O)C(CCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| 119192 | 2446 | 48 | None | -17 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| 1582 | 2446 | 48 | None | -17 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| CHEMBL506981 | 2446 | 48 | None | -17 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| DB06455 | 2446 | 48 | None | -17 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm5003843 | ||
| 90644400 | 111643 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 6 | 1 | 6 | 6.3 | COc1cccc(OC)c1-c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290089 | 111643 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 6 | 1 | 6 | 6.3 | COc1cccc(OC)c1-c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/jm5003843 | ||
| 44594765 | 181921 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 703 | 20 | 12 | 9 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4786965 | 181921 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 703 | 20 | 12 | 9 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 90644397 | 111658 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 481 | 8 | 2 | 6 | 4.5 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL3290104 | 111658 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 481 | 8 | 2 | 6 | 4.5 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)O)C2CCCCC2)nn1-c1ccc(F)cc1 | 10.1021/jm5003843 | ||
| CHEMBL172313 | 207109 | 0 | None | -14 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL1766925 | 207119 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 118729841 | 117443 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 437 | 6 | 2 | 5 | 4.7 | COc1ccccc1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL3403508 | 117443 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 437 | 6 | 2 | 5 | 4.7 | COc1ccccc1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| 1581 | 3613 | 7 | None | -12 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 10.1021/jm5003843 | ||
| 9915499 | 3613 | 7 | None | -12 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 10.1021/jm5003843 | ||
| CHEMBL461604 | 3613 | 7 | None | -12 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 10.1021/jm5003843 | ||
| 162651757 | 179628 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4749690 | 179628 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 137660279 | 158821 | 0 | None | 9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 756 | 26 | 9 | 10 | 0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| CHEMBL4100456 | 158821 | 0 | None | 9 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 756 | 26 | 9 | 10 | 0.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.6b01848 | ||
| 72737612 | 103115 | 0 | None | -70 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 958 | 20 | 5 | 15 | 4.6 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)CCCCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)cc1C(C)C | 10.1021/jm401491e | ||
| CHEMBL3086356 | 103115 | 0 | None | -70 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 958 | 20 | 5 | 15 | 4.6 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)CCCCc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)cc1C(C)C | 10.1021/jm401491e | ||
| CHEMBL3979668 | 210765 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||||
| CHEMBL1766933 | 207127 | 0 | None | 18 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 90644395 | 111656 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 6 | 2 | 5 | 5.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| CHEMBL3290102 | 111656 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 6 | 2 | 5 | 5.2 | COc1ccccc1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1021/jm5003843 | ||
| 1580 | 3608 | 39 | None | -6 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.11.047 | ||
| 5311451 | 3608 | 39 | None | -6 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.11.047 | ||
| CHEMBL3040381 | 3608 | 39 | None | -6 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1016/j.bmcl.2014.11.047 | ||
| 155569719 | 175798 | 0 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4592541 | 175798 | 0 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4595797 | 175798 | 0 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1577 | 47 | 15 | 18 | 5.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)C(C)(C)c2ccccc21)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 132547200 | 148467 | 0 | None | 28 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 802 | 21 | 13 | 11 | -2.2 | CC(C)C[C@H](NC(=O)CNC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@@H]1c1ccc(O)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| CHEMBL3942339 | 148467 | 0 | None | 28 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 802 | 21 | 13 | 11 | -2.2 | CC(C)C[C@H](NC(=O)CNC(=O)[C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)CCO[C@@H]1c1ccc(O)cc1)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||
| 1580 | 3608 | 39 | None | -70 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm401491e | ||
| 5311451 | 3608 | 39 | None | -70 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm401491e | ||
| CHEMBL3040381 | 3608 | 39 | None | -70 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 685 | 13 | 2 | 8 | 5.7 | COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 10.1021/jm401491e | ||
| 162658930 | 180443 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4759247 | 180443 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1630 | 48 | 23 | 21 | -4.4 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 162651726 | 179709 | 0 | None | -12 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1350 | 33 | 15 | 16 | 1.1 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2Cc3ccc(O)cc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| CHEMBL4750783 | 179709 | 0 | None | -12 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1350 | 33 | 15 | 16 | 1.1 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2Cc3ccc(O)cc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O | 10.1021/acs.jmedchem.0c01376 | ||
| 162674795 | 182875 | 0 | None | -3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1580 | 48 | 22 | 20 | -4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4799000 | 182875 | 0 | None | -3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1580 | 48 | 22 | 20 | -4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 162677029 | 182922 | 0 | None | -4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1632 | 50 | 23 | 21 | -3.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4799695 | 182922 | 0 | None | -4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1632 | 50 | 23 | 21 | -3.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 162674076 | 182503 | 0 | None | -3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1629 | 48 | 22 | 20 | -2.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4794420 | 182503 | 0 | None | -3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1629 | 48 | 22 | 20 | -2.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL1766825 | 207116 | 0 | None | 3235 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| CHEMBL1766926 | 207120 | 0 | None | 15 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL3950695 | 210735 | 0 | None | 2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2016.10.039 | ||||
| 118721825 | 115586 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 457 | 8 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| CHEMBL3356854 | 115586 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 457 | 8 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| 162667468 | 181974 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1615 | 46 | 22 | 20 | -3.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4787611 | 181974 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1615 | 46 | 22 | 20 | -3.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 162676199 | 182685 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 718 | 17 | 10 | 10 | -0.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4796587 | 182685 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 718 | 17 | 10 | 10 | -0.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 162653994 | 179966 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1587 | 46 | 20 | 20 | -2.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4753810 | 179966 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1587 | 46 | 20 | 20 | -2.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 118721824 | 115585 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 2 | 6 | 4.5 | COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)O)CCCCC2)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| CHEMBL3356853 | 115585 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 469 | 6 | 2 | 6 | 4.5 | COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)O)CCCCC2)nc2ccc(Cl)cc12 | 10.1016/j.bmcl.2014.11.047 | ||
| 1569 | 2095 | 27 | None | -2 | 2 | Human | 7.0 | pKd | None | 7 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 5311318 | 2095 | 27 | None | -2 | 2 | Human | 7.0 | pKd | None | 7 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| CHEMBL415788 | 2095 | 27 | None | -2 | 2 | Human | 7.0 | pKd | None | 7 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1574 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 8795617 | ||||
| 1574 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 1579 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 8795617 | ||||
| 1579 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 25077406 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 8795617 | ||||
| 25077406 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| 3830 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 8795617 | ||||
| 3830 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| CHEMBL407196 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 8795617 | ||||
| CHEMBL407196 | 2769 | 17 | None | -19 | 6 | Mouse | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9480852 | ||||
| None | 214615 | 0 | 125I-Neurotensin | 588 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 420 | 4 | 1 | 3 | 4.9 | CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F | None | ||
| 146159772 | 2281 | 29 | None | -4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 1564 | 2281 | 29 | None | -4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 1586 | 2281 | 29 | None | -4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 54385 | 2281 | 29 | None | -4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| CHEMBL1615438 | 2281 | 29 | None | -4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| DB01106 | 2281 | 29 | None | -4 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 1574 | 2769 | 17 | 125I-Neurotensin | -19 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 1579 | 2769 | 17 | 125I-Neurotensin | -19 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 25077406 | 2769 | 17 | 125I-Neurotensin | -19 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 3830 | 2769 | 17 | 125I-Neurotensin | -19 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL407196 | 2769 | 17 | 125I-Neurotensin | -19 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 146159772 | 2281 | 29 | None | -2 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 1564 | 2281 | 29 | None | -2 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 1586 | 2281 | 29 | None | -2 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 54385 | 2281 | 29 | None | -2 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| CHEMBL1615438 | 2281 | 29 | None | -2 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| DB01106 | 2281 | 29 | None | -2 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | None | ||
| 146159772 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 11723247 | ||
| 146159772 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8795617 | ||
| 1564 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 11723247 | ||
| 1564 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8795617 | ||
| 1586 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 11723247 | ||
| 1586 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8795617 | ||
| 54385 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 11723247 | ||
| 54385 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8795617 | ||
| CHEMBL1615438 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 11723247 | ||
| CHEMBL1615438 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8795617 | ||
| DB01106 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 11723247 | ||
| DB01106 | 2281 | 29 | None | -4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 420 | 4 | 1 | 3 | 4.9 | N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F | 8795617 | ||
| 119192 | 2446 | 48 | None | -114 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 11723247 | ||
| 1582 | 2446 | 48 | None | -114 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 11723247 | ||
| CHEMBL506981 | 2446 | 48 | None | -114 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 11723247 | ||
| DB06455 | 2446 | 48 | None | -114 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC | 11723247 | ||
| 1571 | 2097 | 0 | None | 10 | 2 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1568 | 2092 | 0 | None | 31 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1572 | 2098 | 0 | None | -1 | 2 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 5311320 | 2098 | 0 | None | -1 | 2 | Human | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1574 | 2769 | 17 | None | -15 | 6 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1579 | 2769 | 17 | None | -15 | 6 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 25077406 | 2769 | 17 | None | -15 | 6 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 3830 | 2769 | 17 | None | -15 | 6 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| CHEMBL407196 | 2769 | 17 | None | -15 | 6 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||