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 |
| 53322111 | 57336 | 0 | None | 125 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 482 | 7 | 4 | 8 | 3.4 | C#CCNC(=O)CNc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1 | 10.1021/ml100229v | ||
| CHEMBL1651721 | 57336 | 0 | None | 125 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 482 | 7 | 4 | 8 | 3.4 | C#CCNC(=O)CNc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1 | 10.1021/ml100229v | ||
| 53320793 | 57338 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 1136 | 18 | 5 | 17 | 10.1 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651723 | 57338 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 1136 | 18 | 5 | 17 | 10.1 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 11618319 | 79750 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 403 | 4 | 1 | 8 | 4.6 | COc1cccc(-c2nc(SC)nc3sc(C(=O)OC(C)(C)C)c(N)c23)c1 | 10.1021/jm060247s | ||
| CHEMBL211871 | 79750 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 403 | 4 | 1 | 8 | 4.6 | COc1cccc(-c2nc(SC)nc3sc(C(=O)OC(C)(C)C)c(N)c23)c1 | 10.1021/jm060247s | ||
| 11509369 | 79979 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 390 | 3 | 2 | 6 | 4.3 | CSc1nc(-c2cccc(F)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/jm060247s | ||
| CHEMBL212815 | 79979 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 390 | 3 | 2 | 6 | 4.3 | CSc1nc(-c2cccc(F)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/jm060247s | ||
| 44440750 | 97298 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 610 | 13 | 3 | 7 | 6.2 | CC(C)(C)Oc1ccc(C[C@H](NC(=O)CCCCNc2cc(-c3cccnc3)nn2-c2ccc(C(C)(C)C)cc2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL269261 | 97298 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 610 | 13 | 3 | 7 | 6.2 | CC(C)(C)Oc1ccc(C[C@H](NC(=O)CCCCNc2cc(-c3cccnc3)nn2-c2ccc(C(C)(C)C)cc2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 44440752 | 169003 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 568 | 13 | 4 | 7 | 5.1 | CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2NCCCCCC(=O)N[C@@H](Cc2cccc(O)c2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL439392 | 169003 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 568 | 13 | 4 | 7 | 5.1 | CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2NCCCCCC(=O)N[C@@H](Cc2cccc(O)c2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 11502667 | 78387 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 420 | 4 | 2 | 7 | 4.3 | COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1F | 10.1021/jm060247s | ||
| CHEMBL211129 | 78387 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 420 | 4 | 2 | 7 | 4.3 | COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1F | 10.1021/jm060247s | ||
| 44572264 | 179414 | 19 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 6.1 | O=C(NC1CCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 | 10.1021/jm801561h | ||
| CHEMBL474041 | 179414 | 19 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 6.1 | O=C(NC1CCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 | 10.1021/jm801561h | ||
| 44440751 | 93799 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 554 | 12 | 4 | 7 | 5.3 | CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2NCCCCCC(=O)N[C@H](C(N)=O)c2ccc(O)cc2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL247700 | 93799 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 554 | 12 | 4 | 7 | 5.3 | CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2NCCCCCC(=O)N[C@H](C(N)=O)c2ccc(O)cc2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 44440753 | 148497 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 537 | 12 | 2 | 5 | 5.5 | CC(C)(C)c1ccc(-n2nc(-c3ccncc3)cc2CCCCC(=O)N[C@H](CC(N)=O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL393847 | 148497 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 537 | 12 | 2 | 5 | 5.5 | CC(C)(C)c1ccc(-n2nc(-c3ccncc3)cc2CCCCC(=O)N[C@H](CC(N)=O)Cc2ccccc2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 11531195 | 138773 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 388 | 3 | 3 | 7 | 3.9 | CSc1nc(-c2cccc(O)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/jm060247s | ||
| CHEMBL378091 | 138773 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 388 | 3 | 3 | 7 | 3.9 | CSc1nc(-c2cccc(O)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/jm060247s | ||
| 9915237 | 93494 | 1 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 539 | 11 | 3 | 6 | 4.9 | CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL246321 | 93494 | 1 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 539 | 11 | 3 | 6 | 4.9 | CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 44440784 | 93349 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 539 | 11 | 3 | 6 | 4.9 | CC(C)(C)c1ccc(-n2nc(CCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)cc2-c2ccncc2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL245663 | 93349 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 539 | 11 | 3 | 6 | 4.9 | CC(C)(C)c1ccc(-n2nc(CCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)cc2-c2ccncc2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 53320759 | 57355 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1136 | 18 | 5 | 17 | 10.1 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651829 | 57355 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1136 | 18 | 5 | 17 | 10.1 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 44440746 | 152703 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 539 | 11 | 3 | 6 | 4.9 | CC(C)(C)c1ccc(-n2nc(-c3ccncc3)cc2CCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL397316 | 152703 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 539 | 11 | 3 | 6 | 4.9 | CC(C)(C)c1ccc(-n2nc(-c3ccncc3)cc2CCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 53323417 | 57349 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1180 | 21 | 5 | 18 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651823 | 57349 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1180 | 21 | 5 | 18 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 9887381 | 79502 | 24 | None | 27 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 4 | 2 | 7 | 4.2 | COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1 | 10.1021/jm060247s | ||
| CHEMBL211405 | 79502 | 24 | None | 27 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 4 | 2 | 7 | 4.2 | COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1 | 10.1021/jm060247s | ||
| 53324744 | 57358 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1313 | 30 | 5 | 21 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCOCCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651831 | 57358 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1313 | 30 | 5 | 21 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCOCCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 53320758 | 57350 | 0 | None | 21 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1225 | 24 | 5 | 19 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651824 | 57350 | 0 | None | 21 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1225 | 24 | 5 | 19 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 44255904 | 57354 | 0 | None | 79 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 682 | 17 | 4 | 14 | 3.9 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCN=[N+]=[N-])nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651828 | 57354 | 0 | None | 79 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 682 | 17 | 4 | 14 | 3.9 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCN=[N+]=[N-])nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 44440748 | 93839 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 609 | 8 | 3 | 6 | 6.6 | CC(C)(C)c1ccc(-n2nc(-c3cc4ccccc4cn3)cc2-c2cccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL247945 | 93839 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 609 | 8 | 3 | 6 | 6.6 | CC(C)(C)c1ccc(-n2nc(-c3cc4ccccc4cn3)cc2-c2cccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 53324743 | 57352 | 0 | None | 18 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1313 | 30 | 5 | 21 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651826 | 57352 | 0 | None | 18 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1313 | 30 | 5 | 21 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 53318121 | 57348 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1269 | 27 | 5 | 20 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651822 | 57348 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1269 | 27 | 5 | 20 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 53324742 | 57351 | 0 | None | 26 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1269 | 27 | 5 | 20 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651825 | 57351 | 0 | None | 26 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1269 | 27 | 5 | 20 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 53324741 | 57347 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1225 | 24 | 5 | 19 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651821 | 57347 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1225 | 24 | 5 | 19 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 44440754 | 167143 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 496 | 10 | 2 | 5 | 6.0 | CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NCCc2ccc(O)cc2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL429108 | 167143 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 496 | 10 | 2 | 5 | 6.0 | CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NCCc2ccc(O)cc2)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 53320760 | 57357 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1180 | 21 | 5 | 18 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| CHEMBL1651830 | 57357 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1180 | 21 | 5 | 18 | 10.2 | CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCn4cc(COc5ccc([C@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 | 10.1021/ml100229v | ||
| 11654606 | 138395 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 416 | 4 | 1 | 7 | 4.5 | COc1cccc(-c2nc(SC)nc3sc(C(=O)N(C)C(C)(C)C)c(N)c23)c1 | 10.1021/jm060247s | ||
| CHEMBL377399 | 138395 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 416 | 4 | 1 | 7 | 4.5 | COc1cccc(-c2nc(SC)nc3sc(C(=O)N(C)C(C)(C)C)c(N)c23)c1 | 10.1021/jm060247s | ||
| 11539288 | 138646 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 2 | 8 | 4.2 | COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1OC | 10.1021/jm060247s | ||
| CHEMBL377769 | 138646 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 432 | 5 | 2 | 8 | 4.2 | COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1OC | 10.1021/jm060247s | ||
| 155566723 | 175900 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 3 | 6.3 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4587440 | 175900 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 4 | 1 | 3 | 6.3 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155563159 | 175288 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 398 | 3 | 1 | 3 | 5.6 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4573509 | 175288 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 398 | 3 | 1 | 3 | 5.6 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155546314 | 173520 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 478 | 4 | 1 | 3 | 7.5 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4531781 | 173520 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 478 | 4 | 1 | 3 | 7.5 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155558589 | 174728 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 402 | 2 | 1 | 2 | 6.2 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccccc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4560733 | 174728 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 402 | 2 | 1 | 2 | 6.2 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccccc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155524816 | 170975 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 4 | 2 | 4 | 4.2 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4456365 | 170975 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 4 | 2 | 4 | 4.2 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155516839 | 170084 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 2 | 1 | 2 | 6.4 | O=C(Nc1ccc(F)c(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4443605 | 170084 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 2 | 1 | 2 | 6.4 | O=C(Nc1ccc(F)c(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600336 | 171113 | 14 | None | -4 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 459 | 4 | 1 | 5 | 5.1 | O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4458424 | 171113 | 14 | None | -4 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 459 | 4 | 1 | 5 | 5.1 | O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155530584 | 171530 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 438 | 2 | 1 | 2 | 6.5 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(F)c(F)c1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4464604 | 171530 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 438 | 2 | 1 | 2 | 6.5 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(F)c(F)c1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155528786 | 171357 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 394 | 4 | 1 | 4 | 4.9 | COc1cc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4461980 | 171357 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 394 | 4 | 1 | 4 | 4.9 | COc1cc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155542952 | 173162 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 424 | 5 | 1 | 5 | 5.0 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(OC)cc(OC)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4522381 | 173162 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 424 | 5 | 1 | 5 | 5.0 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(OC)cc(OC)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 2741928 | 176157 | 4 | None | 1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4593222 | 176157 | 4 | None | 1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600337 | 173769 | 12 | None | 28 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | 28 | 3 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155555227 | 174329 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 419 | 2 | 2 | 3 | 4.9 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(=O)[nH]c1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4551301 | 174329 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 419 | 2 | 2 | 3 | 4.9 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(=O)[nH]c1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155532999 | 171779 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 416 | 2 | 1 | 2 | 6.5 | Cc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4468163 | 171779 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 416 | 2 | 1 | 2 | 6.5 | Cc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155561384 | 175660 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 398 | 3 | 1 | 3 | 5.6 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4581889 | 175660 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 398 | 3 | 1 | 3 | 5.6 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155555948 | 174489 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.7 | O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4555151 | 174489 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.7 | O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155567488 | 175930 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 2 | 1 | 2 | 6.4 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1cccc(F)c1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4588196 | 175930 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 2 | 1 | 2 | 6.4 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1cccc(F)c1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155564366 | 175131 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 2 | 1 | 2 | 6.4 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccccc1F | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4570127 | 175131 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 2 | 1 | 2 | 6.4 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccccc1F | 10.1021/acs.jmedchem.9b01382 | ||
| 155565197 | 175550 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 4 | 1 | 3 | 7.4 | O=C(Nc1cccc(Oc2ccccc2)c1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4579421 | 175550 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 4 | 1 | 3 | 7.4 | O=C(Nc1cccc(Oc2ccccc2)c1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155535600 | 172027 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 440 | 5 | 1 | 5 | 5.1 | COc1ccc(C2c3ccsc3CCN2C(=S)Nc2cc(OC)cc(OC)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4471875 | 172027 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 440 | 5 | 1 | 5 | 5.1 | COc1ccc(C2c3ccsc3CCN2C(=S)Nc2cc(OC)cc(OC)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155533073 | 171788 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 470 | 2 | 1 | 2 | 7.3 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4468307 | 171788 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 470 | 2 | 1 | 2 | 7.3 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 2741928 | 176157 | 4 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4593222 | 176157 | 4 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 29993669 | 172000 | 1 | None | 1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc([C@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4471621 | 172000 | 1 | None | 1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc([C@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 29993669 | 172000 | 1 | None | -1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc([C@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4471621 | 172000 | 1 | None | -1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc([C@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600336 | 171113 | 14 | None | 4 | 3 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 4 | 1 | 5 | 5.1 | O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4458424 | 171113 | 14 | None | 4 | 3 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 4 | 1 | 5 | 5.1 | O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155568207 | 176048 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 436 | 2 | 1 | 2 | 6.9 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4590976 | 176048 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 436 | 2 | 1 | 2 | 6.9 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 29993670 | 170509 | 1 | None | 1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc([C@@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4449797 | 170509 | 1 | None | 1 | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc([C@@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155563505 | 175286 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 403 | 2 | 1 | 3 | 5.6 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccncc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4573451 | 175286 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 403 | 2 | 1 | 3 | 5.6 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1ccncc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155561534 | 175615 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 392 | 3 | 1 | 3 | 5.6 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4580951 | 175615 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 392 | 3 | 1 | 3 | 5.6 | COc1ccc(C2c3ccsc3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 29993670 | 170509 | 1 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc([C@@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4449797 | 170509 | 1 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 432 | 3 | 1 | 3 | 6.2 | COc1ccc([C@@H]2c3ccsc3CCN2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155534855 | 171964 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 403 | 2 | 1 | 3 | 5.6 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1cccnc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4471103 | 171964 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 403 | 2 | 1 | 3 | 5.6 | O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2sccc2C1c1cccnc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 155527311 | 171228 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 470 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(F)c(OC(F)(F)F)c1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4460075 | 171228 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 470 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(F)c(OC(F)(F)F)c1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 57325683 | 74924 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 368 | 2 | 1 | 2 | 5.6 | O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL2032175 | 74924 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 368 | 2 | 1 | 2 | 5.6 | O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600337 | 173769 | 12 | None | -28 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | -28 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL412984 | 213015 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O | 10.1021/jm00130a019 | ||||
| 44314940 | 82086 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 1041 | 26 | 10 | 10 | 2.8 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL216617 | 82086 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 1041 | 26 | 10 | 10 | 2.8 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44315218 | 98416 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 1030 | 26 | 11 | 10 | 2.1 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL275694 | 98416 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 1030 | 26 | 11 | 10 | 2.1 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44314845 | 161871 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 1067 | 28 | 9 | 10 | 3.4 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL415109 | 161871 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 1067 | 28 | 9 | 10 | 3.4 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44314939 | 161309 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1032 | 26 | 11 | 11 | 1.5 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL412573 | 161309 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1032 | 26 | 11 | 11 | 1.5 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557614 | 89349 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 977 | 25 | 10 | 10 | 1.2 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369800 | 89349 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 977 | 25 | 10 | 10 | 1.2 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369798 | 209667 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1ccc2ccccc2c1 | 10.1021/jm00130a019 | ||||
| 14557592 | 89345 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 918 | 24 | 11 | 10 | 0.4 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)c1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369791 | 89345 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 918 | 24 | 11 | 10 | 0.4 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)c1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 14557629 | 89352 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 906 | 25 | 10 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1cccnc1 | 10.1021/jm00130a019 | ||
| CHEMBL2369809 | 89352 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 906 | 25 | 10 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1cccnc1 | 10.1021/jm00130a019 | ||
| 14557620 | 89353 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 955 | 25 | 10 | 10 | 1.5 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369810 | 89353 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 955 | 25 | 10 | 10 | 1.5 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44314797 | 167377 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 1030 | 26 | 11 | 10 | 2.1 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL429543 | 167377 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 1030 | 26 | 11 | 10 | 2.1 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 14557600 | 89354 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 957 | 26 | 10 | 10 | 1.4 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369813 | 89354 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 957 | 26 | 10 | 10 | 1.4 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557594 | 89344 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 932 | 25 | 11 | 10 | 0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369790 | 89344 | 0 | None | - | 0 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 932 | 25 | 11 | 10 | 0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 44314843 | 96701 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 1106 | 28 | 10 | 10 | 3.9 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL264298 | 96701 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 1106 | 28 | 10 | 10 | 3.9 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44314937 | 96833 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 1024 | 25 | 11 | 10 | 1.9 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00130a019 | ||
| CHEMBL265413 | 96833 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 1024 | 25 | 11 | 10 | 1.9 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00130a019 | ||
| 44314846 | 98244 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 1117 | 28 | 9 | 10 | 4.6 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL274609 | 98244 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 1117 | 28 | 9 | 10 | 4.6 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44314897 | 160436 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 1033 | 28 | 9 | 10 | 3.2 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL411175 | 160436 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 1033 | 28 | 9 | 10 | 3.2 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369793 | 209666 | 0 | None | - | 0 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1ccc(OC)cc1 | 10.1021/jm00130a019 | ||||
| 14557590 | 89351 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 986 | 26 | 11 | 10 | 1.7 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369808 | 89351 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 986 | 26 | 11 | 10 | 1.7 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 44315053 | 98420 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 1027 | 25 | 10 | 10 | 2.4 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL275709 | 98420 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 1027 | 25 | 10 | 10 | 2.4 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369807 | 209668 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||||
| CHEMBL2369787 | 209664 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C\c1ccc(OC)cc1 | 10.1021/jm00130a019 | ||||
| 44314898 | 141830 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 1120 | 29 | 10 | 10 | 4.3 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL386525 | 141830 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 1120 | 29 | 10 | 10 | 4.3 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44315220 | 161729 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 1044 | 27 | 11 | 10 | 2.5 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL413887 | 161729 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 1044 | 27 | 11 | 10 | 2.5 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 14557616 | 89347 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 983 | 25 | 10 | 10 | 1.9 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369799 | 89347 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 983 | 25 | 10 | 10 | 1.9 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557588 | 89350 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 980 | 26 | 11 | 10 | 0.9 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369806 | 89350 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 980 | 26 | 11 | 10 | 0.9 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 1159 | 2305 | 0 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Functional | Guide to Pharmacology | None | None | None | None | 12727981 | ||||
| 1159 | 2305 | 0 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Functional | Guide to Pharmacology | None | None | None | None | 1922095 | ||||
| CHEMBL1201419 | 2305 | 0 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Functional | Guide to Pharmacology | None | None | None | None | 12727981 | ||||
| CHEMBL1201419 | 2305 | 0 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Functional | Guide to Pharmacology | None | None | None | None | 1922095 | ||||
| DB00044 | 2305 | 0 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Functional | Guide to Pharmacology | None | None | None | None | 12727981 | ||||
| DB00044 | 2305 | 0 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Functional | Guide to Pharmacology | None | None | None | None | 1922095 | ||||
| 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 |
| 9887381 | 79502 | 24 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 402 | 4 | 2 | 7 | 4.2 | COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1 | 10.1039/c1md00145k | ||
| CHEMBL211405 | 79502 | 24 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 402 | 4 | 2 | 7 | 4.2 | COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1 | 10.1039/c1md00145k | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600336 | 171113 | 14 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 459 | 4 | 1 | 5 | 5.1 | O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.6019/CHEMBL5210121 | ||
| CHEMBL4458424 | 171113 | 14 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 459 | 4 | 1 | 5 | 5.1 | O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1 | 10.6019/CHEMBL5210121 | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 44572264 | 179414 | 19 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 6.1 | O=C(NC1CCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 | 10.1021/jm801561h | ||
| CHEMBL474041 | 179414 | 19 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 6.1 | O=C(NC1CCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 | 10.1021/jm801561h | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 139600337 | 173769 | 12 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| CHEMBL4537998 | 173769 | 12 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 473 | 4 | 1 | 3 | 6.8 | O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N1CCc2ncccc2[C@@H]1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.9b01382 | ||
| 44267887 | 98453 | 0 | None | 5 | 3 | Rat | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 967 | 10 | 1 | 14 | 7.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C | 10.1021/jm030418i | ||
| CHEMBL275935 | 98453 | 0 | None | 5 | 3 | Rat | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 967 | 10 | 1 | 14 | 7.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C | 10.1021/jm030418i | ||
| 44267907 | 16299 | 0 | None | -4 | 3 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 937 | 11 | 1 | 14 | 6.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C | 10.1021/jm030418i | ||
| CHEMBL12282 | 16299 | 0 | None | -4 | 3 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 937 | 11 | 1 | 14 | 6.8 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C | 10.1021/jm030418i | ||
| 9854500 | 102245 | 0 | None | -1 | 3 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 953 | 11 | 1 | 14 | 7.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C | 10.1021/jm030418i | ||
| CHEMBL303274 | 102245 | 0 | None | -1 | 3 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 953 | 11 | 1 | 14 | 7.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C | 10.1021/jm030418i | ||
| 44267812 | 98075 | 0 | None | -7 | 3 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 941 | 10 | 1 | 14 | 7.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C | 10.1021/jm030418i | ||
| CHEMBL273440 | 98075 | 0 | None | -7 | 3 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 941 | 10 | 1 | 14 | 7.3 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C | 10.1021/jm030418i | ||
| CHEMBL412984 | 213015 | 0 | None | - | 1 | Rat | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O | 10.1021/jm00130a019 | ||||
| 44350635 | 157189 | 0 | None | - | 1 | Rat | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 1292 | 32 | 15 | 13 | 0.5 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL407606 | 157189 | 0 | None | - | 1 | Rat | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 1292 | 32 | 15 | 13 | 0.5 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL407123 | 212618 | 0 | None | - | 1 | Rat | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)O | 10.1021/jm00099a017 | ||||
| 44350493 | 155729 | 0 | None | - | 1 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1296 | 32 | 15 | 14 | -0.4 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL405737 | 155729 | 0 | None | - | 1 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 1296 | 32 | 15 | 14 | -0.4 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| 44350501 | 141571 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 1220 | 32 | 14 | 14 | -0.8 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL385042 | 141571 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 1220 | 32 | 14 | 14 | -0.8 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| 44350636 | 161923 | 0 | None | - | 1 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1200 | 33 | 14 | 15 | -1.9 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL415571 | 161923 | 0 | None | - | 1 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 1200 | 33 | 14 | 15 | -1.9 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| 44350565 | 141648 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1209 | 32 | 15 | 14 | -1.4 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL385468 | 141648 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1209 | 32 | 15 | 14 | -1.4 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| 44350487 | 167215 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1306 | 32 | 14 | 13 | 0.9 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL429240 | 167215 | 0 | None | - | 1 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1306 | 32 | 14 | 13 | 0.9 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| 44314940 | 82086 | 0 | None | - | 1 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1041 | 26 | 10 | 10 | 2.8 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL216617 | 82086 | 0 | None | - | 1 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1041 | 26 | 10 | 10 | 2.8 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 9915237 | 93494 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 4.9 | CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| CHEMBL246321 | 93494 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 539 | 11 | 3 | 6 | 4.9 | CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1 | 10.1016/j.bmcl.2006.12.062 | ||
| 44350502 | 168807 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1298 | 33 | 14 | 14 | -0.2 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(C)=O | 10.1021/jm00099a017 | ||
| CHEMBL437798 | 168807 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1298 | 33 | 14 | 14 | -0.2 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(C)=O | 10.1021/jm00099a017 | ||
| 44314937 | 96833 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1024 | 25 | 11 | 10 | 1.9 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00130a019 | ||
| CHEMBL265413 | 96833 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1024 | 25 | 11 | 10 | 1.9 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2 | 10.1021/jm00130a019 | ||
| 44315218 | 98416 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1030 | 26 | 11 | 10 | 2.1 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL275694 | 98416 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1030 | 26 | 11 | 10 | 2.1 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44314843 | 96701 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1106 | 28 | 10 | 10 | 3.9 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL264298 | 96701 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1106 | 28 | 10 | 10 | 3.9 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 11980076 | 208430 | 29 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O | 10.1021/jm00130a019 | ||||
| CHEMBL1007 | 208430 | 29 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O | 10.1021/jm00130a019 | ||||
| 44315220 | 161729 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1044 | 27 | 11 | 10 | 2.5 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL413887 | 161729 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1044 | 27 | 11 | 10 | 2.5 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369787 | 209664 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C\c1ccc(OC)cc1 | 10.1021/jm00130a019 | ||||
| 44350492 | 96923 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1223 | 32 | 14 | 14 | -1.1 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL266205 | 96923 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1223 | 32 | 14 | 14 | -1.1 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| 44314797 | 167377 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1030 | 26 | 11 | 10 | 2.1 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL429543 | 167377 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1030 | 26 | 11 | 10 | 2.1 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 44314939 | 161309 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1032 | 26 | 11 | 11 | 1.5 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL412573 | 161309 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1032 | 26 | 11 | 11 | 1.5 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557596 | 89337 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 960 | 27 | 11 | 10 | 1.1 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369780 | 89337 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 960 | 27 | 11 | 10 | 1.1 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 14557594 | 89344 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 932 | 25 | 11 | 10 | 0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369790 | 89344 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 932 | 25 | 11 | 10 | 0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 14557629 | 89352 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 906 | 25 | 10 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1cccnc1 | 10.1021/jm00130a019 | ||
| CHEMBL2369809 | 89352 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 906 | 25 | 10 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1cccnc1 | 10.1021/jm00130a019 | ||
| CHEMBL2369793 | 209666 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1ccc(OC)cc1 | 10.1021/jm00130a019 | ||||
| 14557588 | 89350 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 980 | 26 | 11 | 10 | 0.9 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369806 | 89350 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 980 | 26 | 11 | 10 | 0.9 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 14557627 | 89339 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 908 | 26 | 10 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccnc1 | 10.1021/jm00130a019 | ||
| CHEMBL2369783 | 89339 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 908 | 26 | 10 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccnc1 | 10.1021/jm00130a019 | ||
| 44314897 | 160436 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1033 | 28 | 9 | 10 | 3.2 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL411175 | 160436 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1033 | 28 | 9 | 10 | 3.2 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557582 | 89340 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 946 | 26 | 11 | 10 | 0.7 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369784 | 89340 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 946 | 26 | 11 | 10 | 0.7 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 44350488 | 82393 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1219 | 32 | 14 | 13 | -0.2 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL217405 | 82393 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1219 | 32 | 14 | 13 | -0.2 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL2369807 | 209668 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||||
| 10418860 | 98253 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1211 | 33 | 14 | 14 | -1.2 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(C)=O | 10.1021/jm00099a017 | ||
| CHEMBL274682 | 98253 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1211 | 33 | 14 | 14 | -1.2 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(C)=O | 10.1021/jm00099a017 | ||
| 44315053 | 98420 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1027 | 25 | 10 | 10 | 2.4 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL275709 | 98420 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1027 | 25 | 10 | 10 | 2.4 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557592 | 89345 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 918 | 24 | 11 | 10 | 0.4 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)c1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369791 | 89345 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 918 | 24 | 11 | 10 | 0.4 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)c1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 44314857 | 161789 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1047 | 29 | 9 | 10 | 3.6 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL414382 | 161789 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1047 | 29 | 9 | 10 | 3.6 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557600 | 89354 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 957 | 26 | 10 | 10 | 1.4 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369813 | 89354 | 0 | None | - | 1 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 957 | 26 | 10 | 10 | 1.4 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44314845 | 161871 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1067 | 28 | 9 | 10 | 3.4 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL415109 | 161871 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1067 | 28 | 9 | 10 | 3.4 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369798 | 209667 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1ccc2ccccc2c1 | 10.1021/jm00130a019 | ||||
| 14557616 | 89347 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 983 | 25 | 10 | 10 | 1.9 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369799 | 89347 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 983 | 25 | 10 | 10 | 1.9 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44314846 | 98244 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1117 | 28 | 9 | 10 | 4.6 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL274609 | 98244 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1117 | 28 | 9 | 10 | 4.6 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369788 | 209665 | 0 | None | - | 1 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||||
| CHEMBL2369814 | 209669 | 0 | None | 12 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||||
| 14557590 | 89351 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 986 | 26 | 11 | 10 | 1.7 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369808 | 89351 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 986 | 26 | 11 | 10 | 1.7 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 14557620 | 89353 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 955 | 25 | 10 | 10 | 1.5 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369810 | 89353 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 955 | 25 | 10 | 10 | 1.5 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)/C=C/c1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 44314898 | 141830 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1120 | 29 | 10 | 10 | 4.3 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL386525 | 141830 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1120 | 29 | 10 | 10 | 4.3 | CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)CCc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557608 | 89342 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 943 | 25 | 10 | 10 | 1.0 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369789 | 89342 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 943 | 25 | 10 | 10 | 1.0 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557606 | 89338 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 929 | 24 | 10 | 10 | 1.1 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)c1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369781 | 89338 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 929 | 24 | 10 | 10 | 1.1 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)c1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 14557576 | 89346 | 0 | None | 10 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 961 | 26 | 12 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369794 | 89346 | 0 | None | 10 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 961 | 26 | 12 | 11 | -0.3 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 | 10.1021/jm00130a019 | ||
| 44350486 | 161757 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1204 | 32 | 14 | 14 | -1.3 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| CHEMBL414071 | 161757 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1204 | 32 | 14 | 14 | -1.3 | CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 | 10.1021/jm00099a017 | ||
| 14557614 | 89349 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 977 | 25 | 10 | 10 | 1.2 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| CHEMBL2369800 | 89349 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 977 | 25 | 10 | 10 | 1.2 | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 | 10.1021/jm00130a019 | ||
| 3860 | 741 | 0 | None | -57 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| 436 | 741 | 0 | None | -57 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| 50225 | 741 | 0 | None | -57 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL2110824 | 741 | 0 | None | -57 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| DB06719 | 741 | 0 | None | -57 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| 1160 | 1904 | 0 | None | - | 1 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | None | None | None | None | 12727981 | ||||
| 1160 | 1904 | 0 | None | - | 1 | Human | 10.9 | pKd | = | 10.9 | Binding | Guide to Pharmacology | None | None | None | None | 1922095 | ||||
| 11980076 | 208430 | 29 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O | None | ||||
| CHEMBL1007 | 208430 | 29 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O | None | ||||