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 |
| CHEMBL342252 | 209917 | 0 | None | 2 | 4 | Rat | 11.0 | pEC50 | = | 11 | 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 | ||||
| 1574 | 2759 | 17 | None | 30 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 1579 | 2759 | 17 | None | 30 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 25077406 | 2759 | 17 | None | 30 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 3830 | 2759 | 17 | None | 30 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| CHEMBL407196 | 2759 | 17 | None | 30 | 6 | Rat | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm5003843 | ||||
| 1569 | 2086 | 27 | None | 2 | 3 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.06.033 | ||||
| 5311318 | 2086 | 27 | None | 2 | 3 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.06.033 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 3 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.06.033 | ||||
| 1569 | 2086 | 27 | None | 2 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 5311318 | 2086 | 27 | None | 2 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 1574 | 2759 | 17 | None | -30 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| 1579 | 2759 | 17 | None | -30 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| 25077406 | 2759 | 17 | None | -30 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| 3830 | 2759 | 17 | None | -30 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| CHEMBL407196 | 2759 | 17 | None | -30 | 6 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.01.024 | ||||
| 155569717 | 175655 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | 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 | 175655 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | 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 | 175655 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | 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 | ||
| 1569 | 2086 | 27 | None | 2 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 5311318 | 2086 | 27 | None | 2 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 155569737 | 176051 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | 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 | 176051 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | 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 | 176051 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | 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 | ||
| 1569 | 2086 | 27 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 5311318 | 2086 | 27 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 1569 | 2086 | 27 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 5311318 | 2086 | 27 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 1569 | 2086 | 27 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 5311318 | 2086 | 27 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL504768 | 212403 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | 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](CCCNC(=N)N)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| CHEMBL468951 | 212260 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | 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](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| CHEMBL342252 | 209917 | 0 | None | -2 | 4 | Human | 9.0 | pEC50 | = | 9 | 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/jm801072v | ||||
| 127030965 | 138660 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | 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 | 138660 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | 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 | 138660 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | 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 | 138660 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | 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 | ||
| 118610427 | 174853 | 19 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4576388 | 174853 | 19 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 1569 | 2086 | 27 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 5311318 | 2086 | 27 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 1569 | 2086 | 27 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 5311318 | 2086 | 27 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 1569 | 2086 | 27 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 5311318 | 2086 | 27 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 44123840 | 172157 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1173 | 48 | 15 | 16 | 0.7 | 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](CCCCN)NC(=O)[C@H](CCCCNCCCNCCCNCCCCNCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801481y | ||
| CHEMBL450740 | 172157 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1173 | 48 | 15 | 16 | 0.7 | 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](CCCCN)NC(=O)[C@H](CCCCNCCCNCCCNCCCCNCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801481y | ||
| 127032102 | 138655 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 138655 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 138655 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | ||
| 1574 | 2759 | 17 | None | -30 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 1579 | 2759 | 17 | None | -30 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 25077406 | 2759 | 17 | None | -30 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 3830 | 2759 | 17 | None | -30 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL407196 | 2759 | 17 | None | -30 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 127032102 | 138655 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 138655 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | 138655 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | 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 | ||
| 44572616 | 188186 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | 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)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL505695 | 188186 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | 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)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL344337 | 209948 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | 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](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 1574 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 1579 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 25077406 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 3830 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL407196 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 127032412 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | ||
| 3631325 | 54518 | 19 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 275 | 5 | 0 | 5 | 2.4 | COc1ccc(C(C[N+](=O)[O-])n2nc(C)cc2C)cc1 | nan | ||
| CHEMBL1612634 | 54518 | 19 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 275 | 5 | 0 | 5 | 2.4 | COc1ccc(C(C[N+](=O)[O-])n2nc(C)cc2C)cc1 | nan | ||
| 3357104 | 46681 | 7 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 497 | 7 | 1 | 7 | 2.9 | CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C | nan | ||
| CHEMBL1541329 | 46681 | 7 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 497 | 7 | 1 | 7 | 2.9 | CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C | nan | ||
| 2172285 | 34365 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 385 | 3 | 1 | 4 | 3.8 | Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c1 | nan | ||
| CHEMBL1429636 | 34365 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 385 | 3 | 1 | 4 | 3.8 | Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)c1 | nan | ||
| 1804911 | 29932 | 8 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 419 | 3 | 1 | 4 | 4.4 | Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)c1 | nan | ||
| CHEMBL1390127 | 29932 | 8 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 419 | 3 | 1 | 4 | 4.4 | Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)c1 | nan | ||
| 145974670 | 164075 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| CHEMBL4216311 | 164075 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| 1519056 | 71410 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 374 | 3 | 0 | 6 | 3.2 | COC(=O)c1cc(=O)n(-c2ccc(F)cc2)/c(=N/c2ccc(F)cc2)s1 | nan | ||
| CHEMBL1966872 | 71410 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 374 | 3 | 0 | 6 | 3.2 | COC(=O)c1cc(=O)n(-c2ccc(F)cc2)/c(=N/c2ccc(F)cc2)s1 | nan | ||
| 1899419 | 49956 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 314 | 3 | 2 | 5 | 2.2 | O=C1NC(=O)C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N1 | nan | ||
| CHEMBL1571258 | 49956 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 314 | 3 | 2 | 5 | 2.2 | O=C1NC(=O)C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N1 | nan | ||
| 16319272 | 45531 | 3 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 245 | 3 | 0 | 2 | 3.3 | O=C(/C=C/c1cccnc1)c1ccc(F)c(F)c1 | nan | ||
| CHEMBL1530988 | 45531 | 3 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 245 | 3 | 0 | 2 | 3.3 | O=C(/C=C/c1cccnc1)c1ccc(F)c(F)c1 | nan | ||
| 145967420 | 163717 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| CHEMBL4211866 | 163717 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| 15945158 | 34773 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 386 | 5 | 0 | 4 | 5.7 | O=C(/C=C\c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1 | nan | ||
| CHEMBL1433015 | 34773 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 386 | 5 | 0 | 4 | 5.7 | O=C(/C=C\c1ccccc1OC(=O)c1ccccc1F)c1cc2ccccc2o1 | nan | ||
| 7341556 | 23089 | 8 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 361 | 2 | 1 | 4 | 2.9 | CN1C(=O)/C(=C/c2cccn2-c2ccc3ccccc3c2)C(=O)NC1=S | nan | ||
| CHEMBL1332241 | 23089 | 8 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 361 | 2 | 1 | 4 | 2.9 | CN1C(=O)/C(=C/c2cccn2-c2ccc3ccccc3c2)C(=O)NC1=S | nan | ||
| 695637 | 54423 | 9 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 329 | 3 | 1 | 5 | 3.4 | COc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1O | nan | ||
| CHEMBL1611796 | 54423 | 9 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 329 | 3 | 1 | 5 | 3.4 | COc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1O | nan | ||
| 44157044 | 190411 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 546 | 8 | 2 | 6 | 5.9 | CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL518675 | 190411 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 546 | 8 | 2 | 6 | 5.9 | CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| 182785 | 186847 | 1 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 4 | 2 | 3 | 6.0 | CC(C)Nc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1 | nan | ||
| CHEMBL493863 | 186847 | 1 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 4 | 2 | 3 | 6.0 | CC(C)Nc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1 | nan | ||
| 135400412 | 66940 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 379 | 5 | 2 | 2 | 4.6 | O=C(N/N=C/c1c[nH]c2ccccc12)C1CC1(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1882689 | 66940 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 379 | 5 | 2 | 2 | 4.6 | O=C(N/N=C/c1c[nH]c2ccccc12)C1CC1(c1ccccc1)c1ccccc1 | nan | ||
| 5418979 | 24612 | 9 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 330 | 3 | 1 | 4 | 2.5 | O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccs1 | nan | ||
| CHEMBL1344927 | 24612 | 9 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 330 | 3 | 1 | 4 | 2.5 | O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cccs1 | nan | ||
| 6526694 | 27383 | 3 | None | -23 | 5 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 364 | 4 | 1 | 3 | 5.7 | O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1 | nan | ||
| CHEMBL1369594 | 27383 | 3 | None | -23 | 5 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 364 | 4 | 1 | 3 | 5.7 | O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1 | nan | ||
| 3124420 | 55363 | 4 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 4 | 0 | 0 | 7.0 | c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1 | nan | ||
| CHEMBL1439624 | 55363 | 4 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 4 | 0 | 0 | 7.0 | c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1 | nan | ||
| CHEMBL1621746 | 55363 | 4 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 4 | 0 | 0 | 7.0 | c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccc3)c(-c3ccccc3)c2)cc1 | nan | ||
| 16195600 | 45985 | 3 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 320 | 3 | 2 | 5 | 2.5 | O=C1NC(=O)C(=Cc2ccc(SC3CCCCC3)o2)C(=O)N1 | nan | ||
| CHEMBL1535216 | 45985 | 3 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 320 | 3 | 2 | 5 | 2.5 | O=C1NC(=O)C(=Cc2ccc(SC3CCCCC3)o2)C(=O)N1 | nan | ||
| 2198843 | 19742 | 6 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.8 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1 | nan | ||
| CHEMBL1302946 | 19742 | 6 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.8 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1 | nan | ||
| 4326878 | 31260 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 350 | 7 | 2 | 10 | 1.8 | Cn1ccnc1Sc1cc(NCCCO)c([N+](=O)[O-])c2nonc12 | nan | ||
| CHEMBL1403329 | 31260 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 350 | 7 | 2 | 10 | 1.8 | Cn1ccnc1Sc1cc(NCCCO)c([N+](=O)[O-])c2nonc12 | nan | ||
| 5735866 | 28289 | 8 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 343 | 4 | 1 | 2 | 4.3 | CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Br)cc2)c1 | nan | ||
| CHEMBL1375998 | 28289 | 8 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 343 | 4 | 1 | 2 | 4.3 | CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Br)cc2)c1 | nan | ||
| 145989745 | 166521 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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/acsmedchemlett.7b00500 | ||
| CHEMBL4289739 | 166521 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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/acsmedchemlett.7b00500 | ||
| 145966776 | 163873 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| CHEMBL4213725 | 163873 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| 135871468 | 58898 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.9 | COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL1702299 | 58898 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.9 | COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(C(F)(F)F)c1 | nan | ||
| 145972052 | 163955 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| CHEMBL4214816 | 163955 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| 745143 | 47348 | 8 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1 | nan | ||
| CHEMBL1546782 | 47348 | 8 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1 | nan | ||
| 2834420 | 54755 | 3 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 435 | 7 | 0 | 4 | 5.0 | CC1CCC(C(C)C)C(OC(=O)Cn2c(COc3ccccc3)[n+](C)c3ccccc32)C1 | nan | ||
| CHEMBL1325192 | 54755 | 3 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 435 | 7 | 0 | 4 | 5.0 | CC1CCC(C(C)C)C(OC(=O)Cn2c(COc3ccccc3)[n+](C)c3ccccc32)C1 | nan | ||
| CHEMBL1616559 | 54755 | 3 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 435 | 7 | 0 | 4 | 5.0 | CC1CCC(C(C)C)C(OC(=O)Cn2c(COc3ccccc3)[n+](C)c3ccccc32)C1 | nan | ||
| 2827476 | 54956 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 307 | 6 | 1 | 6 | 2.3 | CC(=O)n1cc(C(C[N+](=O)[O-])SCCN)c2ccccc21 | nan | ||
| CHEMBL1322180 | 54956 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 307 | 6 | 1 | 6 | 2.3 | CC(=O)n1cc(C(C[N+](=O)[O-])SCCN)c2ccccc21 | nan | ||
| CHEMBL1618016 | 54956 | 6 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 307 | 6 | 1 | 6 | 2.3 | CC(=O)n1cc(C(C[N+](=O)[O-])SCCN)c2ccccc21 | nan | ||
| 4318511 | 54702 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc21 | nan | ||
| CHEMBL1338004 | 54702 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc21 | nan | ||
| CHEMBL1616169 | 54702 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc21 | nan | ||
| 216239 | 23576 | 114 | None | -3 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | nan | ||
| CHEMBL1200485 | 23576 | 114 | None | -3 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | nan | ||
| CHEMBL1336 | 23576 | 114 | None | -3 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | nan | ||
| 16746296 | 31435 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 513 | 9 | 0 | 6 | 6.5 | COc1ccc(C(CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 | nan | ||
| CHEMBL1405092 | 31435 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 513 | 9 | 0 | 6 | 6.5 | COc1ccc(C(CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 | nan | ||
| 4316708 | 55398 | 4 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 327 | 5 | 0 | 2 | 4.8 | O=C(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1 | nan | ||
| CHEMBL1482193 | 55398 | 4 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 327 | 5 | 0 | 2 | 4.8 | O=C(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1 | nan | ||
| CHEMBL1622001 | 55398 | 4 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 327 | 5 | 0 | 2 | 4.8 | O=C(c1ccc(Cl)cc1)C(CN1CCCCC1)c1ccccc1 | nan | ||
| 883995 | 23399 | 24 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 264 | 4 | 0 | 2 | 3.9 | Cc1ccc(C(=O)/C=C/C(=O)c2ccc(C)cc2)cc1 | nan | ||
| CHEMBL1334520 | 23399 | 24 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 264 | 4 | 0 | 2 | 3.9 | Cc1ccc(C(=O)/C=C/C(=O)c2ccc(C)cc2)cc1 | nan | ||
| 145976898 | 163269 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206391 | 163269 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| 145977513 | 163002 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| CHEMBL4203162 | 163002 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| 145977513 | 163002 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| CHEMBL4203162 | 163002 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| 145966776 | 163873 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| CHEMBL4213725 | 163873 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| 136601019 | 31519 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 343 | 4 | 1 | 4 | 3.9 | CC(C)CN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S | nan | ||
| CHEMBL1405919 | 31519 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 343 | 4 | 1 | 4 | 3.9 | CC(C)CN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S | nan | ||
| CHEMBL508380 | 213101 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 8177748 | 26788 | 16 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 271 | 4 | 0 | 3 | 3.6 | O=C(/C=C/c1ccccc1F)c1cccc([N+](=O)[O-])c1 | nan | ||
| CHEMBL1364769 | 26788 | 16 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 271 | 4 | 0 | 3 | 3.6 | O=C(/C=C/c1ccccc1F)c1cccc([N+](=O)[O-])c1 | nan | ||
| 910773 | 38567 | 8 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 318 | 3 | 1 | 3 | 2.9 | O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 | nan | ||
| CHEMBL1466699 | 38567 | 8 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 318 | 3 | 1 | 3 | 2.9 | O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 | nan | ||
| 3947745 | 35294 | 3 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 424 | 7 | 3 | 2 | 5.9 | OC(CNCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1ccccc1 | nan | ||
| CHEMBL1438983 | 35294 | 3 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 424 | 7 | 3 | 2 | 5.9 | OC(CNCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12)c1ccccc1 | nan | ||
| 16746323 | 23221 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 12 | 0 | 6 | 6.6 | CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc(OC)cc3)c(OC)cc(OC)c12 | nan | ||
| CHEMBL1333191 | 23221 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 12 | 0 | 6 | 6.6 | CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc(OC)cc3)c(OC)cc(OC)c12 | nan | ||
| 1187240 | 44718 | 13 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 4.7 | O=[N+]([O-])c1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 | nan | ||
| CHEMBL1523597 | 44718 | 13 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 358 | 4 | 2 | 6 | 4.7 | O=[N+]([O-])c1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 | nan | ||
| 118708033 | 112779 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 7 | 2 | 4 | 3.3 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccnc3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315198 | 112779 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 7 | 2 | 4 | 3.3 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccnc3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 42600970 | 59708 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 397 | 9 | 1 | 5 | 6.4 | CCCCNc1c(-c2ccc(OC)c(SC(C)CC)c2)nc2ccc(C)cn12 | nan | ||
| CHEMBL1736159 | 59708 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 397 | 9 | 1 | 5 | 6.4 | CCCCNc1c(-c2ccc(OC)c(SC(C)CC)c2)nc2ccc(C)cn12 | nan | ||
| CHEMBL2141549 | 59708 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 397 | 9 | 1 | 5 | 6.4 | CCCCNc1c(-c2ccc(OC)c(SC(C)CC)c2)nc2ccc(C)cn12 | nan | ||
| 25102555 | 59001 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 369 | 5 | 1 | 3 | 6.0 | CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC(C(C)(C)C)CC1 | nan | ||
| CHEMBL1706262 | 59001 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 369 | 5 | 1 | 3 | 6.0 | CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC(C(C)(C)C)CC1 | nan | ||
| 3092507 | 54905 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc21 | nan | ||
| CHEMBL1328510 | 54905 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc21 | nan | ||
| CHEMBL1617738 | 54905 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 467 | 15 | 0 | 5 | 5.7 | CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc21 | nan | ||
| 5734448 | 21512 | 12 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 414 | 5 | 0 | 4 | 5.3 | O=C(Oc1ccc(Br)cc1C(=O)/C=C/c1ccccc1F)c1ccco1 | nan | ||
| CHEMBL1318749 | 21512 | 12 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 414 | 5 | 0 | 4 | 5.3 | O=C(Oc1ccc(Br)cc1C(=O)/C=C/c1ccccc1F)c1ccco1 | nan | ||
| 1832662 | 33259 | 17 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 403 | 5 | 0 | 7 | 3.9 | COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O | nan | ||
| CHEMBL1420229 | 33259 | 17 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 403 | 5 | 0 | 7 | 3.9 | COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O | nan | ||
| 135458768 | 107631 | 5 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 380 | 5 | 2 | 5 | 5.4 | C/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1 | nan | ||
| CHEMBL3195813 | 107631 | 5 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 380 | 5 | 2 | 5 | 5.4 | C/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1 | nan | ||
| 677881 | 40908 | 23 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 238 | 2 | 0 | 3 | 3.0 | O=CC1=C(c2ccccc2)Oc2ccccc2O1 | nan | ||
| CHEMBL1488408 | 40908 | 23 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 238 | 2 | 0 | 3 | 3.0 | O=CC1=C(c2ccccc2)Oc2ccccc2O1 | nan | ||
| 1270554 | 41968 | 11 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 478 | 6 | 1 | 6 | 5.3 | CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C)o2)ccc1Cl | nan | ||
| CHEMBL1497243 | 41968 | 11 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 478 | 6 | 1 | 6 | 5.3 | CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C)o2)ccc1Cl | nan | ||
| 9551283 | 39065 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 355 | 6 | 0 | 5 | 4.1 | CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(F)cc1 | nan | ||
| CHEMBL1470914 | 39065 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 355 | 6 | 0 | 5 | 4.1 | CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(F)cc1 | nan | ||
| 2092791 | 26219 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 415 | 6 | 1 | 7 | 3.1 | CC(C)Cn1c(N)c(C(=O)CSc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O | nan | ||
| CHEMBL1359756 | 26219 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 415 | 6 | 1 | 7 | 3.1 | CC(C)Cn1c(N)c(C(=O)CSc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O | nan | ||
| 145966776 | 163873 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| CHEMBL4213725 | 163873 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| 145989745 | 166521 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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/acsmedchemlett.7b00500 | ||
| CHEMBL4289739 | 166521 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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/acsmedchemlett.7b00500 | ||
| 42628219 | 49010 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 479 | 3 | 0 | 4 | 4.8 | O=C1c2ccc(Cl)cc2S(=O)(=O)c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c21 | nan | ||
| CHEMBL1563372 | 49010 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 479 | 3 | 0 | 4 | 4.8 | O=C1c2ccc(Cl)cc2S(=O)(=O)c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c21 | nan | ||
| 5508807 | 36847 | 5 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 362 | 3 | 1 | 4 | 4.1 | CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 | nan | ||
| CHEMBL1452379 | 36847 | 5 | None | -6 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 362 | 3 | 1 | 4 | 4.1 | CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 | nan | ||
| 16195113 | 55194 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 340 | 5 | 2 | 3 | 4.1 | Cc1ccc2c(c1)c1c(n2CC(O)CNC2CCCCC2)CCCC1 | nan | ||
| CHEMBL1419585 | 55194 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 340 | 5 | 2 | 3 | 4.1 | Cc1ccc2c(c1)c1c(n2CC(O)CNC2CCCCC2)CCCC1 | nan | ||
| CHEMBL1620130 | 55194 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 340 | 5 | 2 | 3 | 4.1 | Cc1ccc2c(c1)c1c(n2CC(O)CNC2CCCCC2)CCCC1 | nan | ||
| 9645147 | 71757 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 394 | 5 | 2 | 5 | 4.0 | O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(O)cc1 | nan | ||
| CHEMBL1978125 | 71757 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 394 | 5 | 2 | 5 | 4.0 | O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(O)cc1 | nan | ||
| 1081942 | 30030 | 7 | None | -4 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 432 | 6 | 1 | 6 | 2.4 | CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 | nan | ||
| CHEMBL1390986 | 30030 | 7 | None | -4 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 432 | 6 | 1 | 6 | 2.4 | CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 | nan | ||
| 2199938 | 25178 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 2 | 1 | 3 | 4.0 | Cc1cc(Br)c2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 | nan | ||
| CHEMBL1349747 | 25178 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 2 | 1 | 3 | 4.0 | Cc1cc(Br)c2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 | nan | ||
| 3240356 | 36412 | 7 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 478 | 8 | 1 | 7 | 2.4 | COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 | nan | ||
| CHEMBL1448941 | 36412 | 7 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 478 | 8 | 1 | 7 | 2.4 | COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 | nan | ||
| 135650114 | 72388 | 14 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 432 | 7 | 2 | 8 | 3.2 | COc1cc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O | nan | ||
| CHEMBL1998816 | 72388 | 14 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 432 | 7 | 2 | 8 | 3.2 | COc1cc(/C=N/Nc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)ccc1O | nan | ||
| 16746392 | 36812 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 534 | 12 | 0 | 6 | 6.9 | CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 | nan | ||
| CHEMBL1452114 | 36812 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 534 | 12 | 0 | 6 | 6.9 | CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 | nan | ||
| 977927 | 47060 | 8 | None | -12 | 4 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 283 | 3 | 1 | 3 | 3.5 | CCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 | nan | ||
| CHEMBL1544423 | 47060 | 8 | None | -12 | 4 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 283 | 3 | 1 | 3 | 3.5 | CCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 | nan | ||
| 1610853 | 55525 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 296 | 7 | 1 | 2 | 5.0 | CCCCCCCCn1c2c(c(=N)c3ccccc31)CCC2 | nan | ||
| CHEMBL1518625 | 55525 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 296 | 7 | 1 | 2 | 5.0 | CCCCCCCCn1c2c(c(=N)c3ccccc31)CCC2 | nan | ||
| CHEMBL1623084 | 55525 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 296 | 7 | 1 | 2 | 5.0 | CCCCCCCCn1c2c(c(=N)c3ccccc31)CCC2 | nan | ||
| 16114081 | 176804 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL463811 | 176804 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| 1811598 | 31967 | 5 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 404 | 9 | 1 | 4 | 3.5 | CN(C(=O)COc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1409423 | 31967 | 5 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 404 | 9 | 1 | 4 | 3.5 | CN(C(=O)COc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1 | nan | ||
| 16746616 | 43552 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 448 | 7 | 3 | 5 | 3.7 | Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 | nan | ||
| CHEMBL1511193 | 43552 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 448 | 7 | 3 | 5 | 3.7 | Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1 | nan | ||
| 6616154 | 85050 | 5 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 484 | 7 | 2 | 5 | 4.6 | CC1CCN(CCCNC(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1 | nan | ||
| CHEMBL226876 | 85050 | 5 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 484 | 7 | 2 | 5 | 4.6 | CC1CCN(CCCNC(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1 | nan | ||
| 145966676 | 163685 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| CHEMBL4211344 | 163685 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| 2968891 | 26445 | 8 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 458 | 5 | 0 | 4 | 4.4 | O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)C2CCCCC2C1=O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1361814 | 26445 | 8 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 458 | 5 | 0 | 4 | 4.4 | O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)C2CCCCC2C1=O)c1ccc(Cl)cc1 | nan | ||
| 2177873 | 27584 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 4 | 0 | 3 | 3.5 | CCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)N(c2ccccc2)C1=S | nan | ||
| CHEMBL1370953 | 27584 | 6 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 365 | 4 | 0 | 3 | 3.5 | CCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)N(c2ccccc2)C1=S | nan | ||
| 145964771 | 163632 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4210760 | 163632 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 9550901 | 47669 | 8 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 463 | 3 | 1 | 5 | 4.7 | CC1=C(C(=O)OC2CCCCCCC2)C(c2cc3c(cc2Br)OCO3)CC(=O)N1 | nan | ||
| CHEMBL1549706 | 47669 | 8 | None | -1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 463 | 3 | 1 | 5 | 4.7 | CC1=C(C(=O)OC2CCCCCCC2)C(c2cc3c(cc2Br)OCO3)CC(=O)N1 | nan | ||
| 11957215 | 55453 | 2 | None | -22 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C | nan | ||
| CHEMBL1503962 | 55453 | 2 | None | -22 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C | nan | ||
| CHEMBL1622468 | 55453 | 2 | None | -22 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C | nan | ||
| 1255859 | 28775 | 12 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 443 | 4 | 1 | 5 | 3.7 | CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 | nan | ||
| CHEMBL1380459 | 28775 | 12 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 443 | 4 | 1 | 5 | 3.7 | CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 | nan | ||
| 2891887 | 55072 | 5 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 494 | 7 | 1 | 5 | 4.7 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1 | nan | ||
| CHEMBL1380969 | 55072 | 5 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 494 | 7 | 1 | 5 | 4.7 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1 | nan | ||
| CHEMBL1619128 | 55072 | 5 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 494 | 7 | 1 | 5 | 4.7 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3ccccc3c2)CC1 | nan | ||
| CHEMBL501956 | 212366 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@](C)(N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 2892067 | 55262 | 8 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 472 | 7 | 1 | 5 | 4.2 | Cc1cc(C)cc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | nan | ||
| CHEMBL1450446 | 55262 | 8 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 472 | 7 | 1 | 5 | 4.2 | Cc1cc(C)cc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | nan | ||
| CHEMBL1620833 | 55262 | 8 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 472 | 7 | 1 | 5 | 4.2 | Cc1cc(C)cc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | nan | ||
| 6218006 | 58809 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 388 | 7 | 2 | 7 | 1.8 | COC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 | nan | ||
| CHEMBL1698682 | 58809 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 388 | 7 | 2 | 7 | 1.8 | COC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 | nan | ||
| 9590748 | 108149 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 347 | 9 | 2 | 7 | 2.8 | CCCCCCOc1ccc(/C(C)=N/NC2=NCCN2)cc1[N+](=O)[O-] | nan | ||
| CHEMBL3207463 | 108149 | 4 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 347 | 9 | 2 | 7 | 2.8 | CCCCCCOc1ccc(/C(C)=N/NC2=NCCN2)cc1[N+](=O)[O-] | nan | ||
| 145966676 | 163685 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| CHEMBL4211344 | 163685 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| 3837201 | 23363 | 7 | None | -4 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 489 | 4 | 1 | 5 | 6.0 | O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)OC1CCN2Cc3ccccc3N=C12 | nan | ||
| CHEMBL1334291 | 23363 | 7 | None | -4 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 489 | 4 | 1 | 5 | 6.0 | O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)OC1CCN2Cc3ccccc3N=C12 | nan | ||
| 1922630 | 43410 | 8 | None | -4 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 350 | 4 | 1 | 4 | 3.6 | CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1 | nan | ||
| CHEMBL1509980 | 43410 | 8 | None | -4 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 350 | 4 | 1 | 4 | 3.6 | CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1 | nan | ||
| 135651354 | 71569 | 5 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 369 | 6 | 3 | 6 | 2.7 | COc1cc(OC)c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1 | nan | ||
| CHEMBL1972217 | 71569 | 5 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 369 | 6 | 3 | 6 | 2.7 | COc1cc(OC)c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1 | nan | ||
| 24860305 | 59479 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 535 | 10 | 4 | 7 | 3.2 | C[C@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1 | nan | ||
| CHEMBL1727210 | 59479 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 535 | 10 | 4 | 7 | 3.2 | C[C@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1 | nan | ||
| 789621 | 193328 | 10 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 340 | 3 | 2 | 4 | 4.9 | Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1 | nan | ||
| CHEMBL548458 | 193328 | 10 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 340 | 3 | 2 | 4 | 4.9 | Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1 | nan | ||
| 4837288 | 35925 | 9 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 5 | 1 | 4 | 5.4 | c1ccc(CN2CCC(Nc3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 | nan | ||
| CHEMBL1444767 | 35925 | 9 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 394 | 5 | 1 | 4 | 5.4 | c1ccc(CN2CCC(Nc3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 | nan | ||
| 2832800 | 52952 | 17 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 452 | 3 | 1 | 5 | 5.4 | CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Br)s2)C(=O)C1 | nan | ||
| CHEMBL1599120 | 52952 | 17 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 452 | 3 | 1 | 5 | 5.4 | CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(Br)s2)C(=O)C1 | nan | ||
| 5024835 | 40335 | 7 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 426 | 10 | 0 | 7 | 4.0 | CCCOc1ccc(C(=O)c2ccccc2C(=O)OC2CCOC2=O)cc1OCCC | nan | ||
| CHEMBL1483683 | 40335 | 7 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 426 | 10 | 0 | 7 | 4.0 | CCCOc1ccc(C(=O)c2ccccc2C(=O)OC2CCOC2=O)cc1OCCC | nan | ||
| 2882627 | 55330 | 6 | None | -6 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 357 | 9 | 2 | 3 | 4.3 | CC(NCC(O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 | nan | ||
| CHEMBL1458403 | 55330 | 6 | None | -6 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 357 | 9 | 2 | 3 | 4.3 | CC(NCC(O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 | nan | ||
| CHEMBL1621400 | 55330 | 6 | None | -6 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 357 | 9 | 2 | 3 | 4.3 | CC(NCC(O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 | nan | ||
| 42628331 | 59182 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 368 | 5 | 3 | 3 | 3.8 | C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 | nan | ||
| CHEMBL1715091 | 59182 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 368 | 5 | 3 | 3 | 3.8 | C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 | nan | ||
| 1574 | 2759 | 17 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 1579 | 2759 | 17 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 25077406 | 2759 | 17 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 3830 | 2759 | 17 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL407196 | 2759 | 17 | None | -50 | 6 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 127032412 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | 138657 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | 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 | ||
| 1574 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 1579 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 25077406 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 3830 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL407196 | 2759 | 17 | None | -30 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL266571 | 208934 | 2 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | 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](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||||
| 53245590 | 91953 | 38 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL2431120 | 91953 | 38 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1016/j.bmcl.2014.06.033 | ||
| 145964771 | 163632 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4210760 | 163632 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 44564776 | 176949 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 462 | 7 | 2 | 5 | 5.0 | CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL464011 | 176949 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 462 | 7 | 2 | 5 | 5.0 | CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2)n(-c2ccnc3cc(Cl)ccc23)n1)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| 118708030 | 112774 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315193 | 112774 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 2998956 | 25310 | 7 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 424 | 7 | 1 | 6 | 2.8 | CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2cc(S(N)(=O)=O)ccc21 | nan | ||
| CHEMBL1350888 | 25310 | 7 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 424 | 7 | 1 | 6 | 2.8 | CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2cc(S(N)(=O)=O)ccc21 | nan | ||
| 145970755 | 164217 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4218115 | 164217 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 118708041 | 112787 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 585 | 11 | 2 | 6 | 6.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(N(Cc3ccnc4ccccc34)Cc3ccnc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315206 | 112787 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 585 | 11 | 2 | 6 | 6.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(N(Cc3ccnc4ccccc34)Cc3ccnc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 1520390 | 51539 | 11 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 446 | 5 | 0 | 7 | 5.0 | COc1ccc(-c2csc(N3CCN(c4cc(C)nc5ccccc45)CC3)n2)cc1OC | nan | ||
| CHEMBL1585318 | 51539 | 11 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 446 | 5 | 0 | 7 | 5.0 | COc1ccc(-c2csc(N3CCN(c4cc(C)nc5ccccc45)CC3)n2)cc1OC | nan | ||
| 3314979 | 55201 | 5 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 333 | 8 | 2 | 3 | 4.2 | CC1CCC(C(C)C)C(OCC(O)CNC(C)c2ccccc2)C1 | nan | ||
| CHEMBL1422262 | 55201 | 5 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 333 | 8 | 2 | 3 | 4.2 | CC1CCC(C(C)C)C(OCC(O)CNC(C)c2ccccc2)C1 | nan | ||
| CHEMBL1620234 | 55201 | 5 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 333 | 8 | 2 | 3 | 4.2 | CC1CCC(C(C)C)C(OCC(O)CNC(C)c2ccccc2)C1 | nan | ||
| 4308 | 100611 | 45 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 353 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL294989 | 100611 | 45 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 353 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL445035 | 212179 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 44157040 | 176429 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL462830 | 176429 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| 44157040 | 176429 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL462830 | 176429 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2014.06.033 | ||
| 4886081 | 45295 | 12 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 507 | 1 | 1 | 5 | 5.4 | Cc1cc2c3c(c1)C(C)(c1ccccc1)CC(C)(C)N3C(=O)C21C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 | nan | ||
| CHEMBL1528880 | 45295 | 12 | None | -2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 507 | 1 | 1 | 5 | 5.4 | Cc1cc2c3c(c1)C(C)(c1ccccc1)CC(C)(C)N3C(=O)C21C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 | nan | ||
| 1782673 | 20682 | 2 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 248 | 3 | 0 | 4 | 2.1 | Cc1cc(N2CCOCC2)ccc1/C=C\[N+](=O)[O-] | nan | ||
| CHEMBL1310644 | 20682 | 2 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 248 | 3 | 0 | 4 | 2.1 | Cc1cc(N2CCOCC2)ccc1/C=C\[N+](=O)[O-] | nan | ||
| 2829042 | 33376 | 12 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 486 | 10 | 2 | 7 | 3.9 | CCOC(=O)c1c(NC(C)=O)sc2c(OCC(O)CN(CC)CC)c(Br)ccc12 | nan | ||
| CHEMBL1421296 | 33376 | 12 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 486 | 10 | 2 | 7 | 3.9 | CCOC(=O)c1c(NC(C)=O)sc2c(OCC(O)CN(CC)CC)c(Br)ccc12 | nan | ||
| 745141 | 34286 | 9 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1 | nan | ||
| CHEMBL1429003 | 34286 | 9 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 337 | 6 | 0 | 5 | 4.0 | CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1 | nan | ||
| 135549626 | 107388 | 5 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 339 | 6 | 4 | 5 | 1.4 | O=C(/C=C\c1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O | nan | ||
| CHEMBL3192903 | 107388 | 5 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 339 | 6 | 4 | 5 | 1.4 | O=C(/C=C\c1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O | nan | ||
| 145976418 | 163323 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| CHEMBL4206981 | 163323 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| 145977513 | 163002 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| CHEMBL4203162 | 163002 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| 145972052 | 163955 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| CHEMBL4214816 | 163955 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| 2136907 | 42440 | 12 | None | 10 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 5 | 0 | 5 | 5.7 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC | nan | ||
| CHEMBL1501508 | 42440 | 12 | None | 10 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 427 | 5 | 0 | 5 | 5.7 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC | nan | ||
| 42628330 | 32887 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 368 | 5 | 3 | 3 | 3.8 | C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 | nan | ||
| CHEMBL1417142 | 32887 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 368 | 5 | 3 | 3 | 3.8 | C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 | nan | ||
| 118708040 | 112786 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 451 | 10 | 3 | 5 | 3.4 | COc1cccc(CC(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315205 | 112786 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 451 | 10 | 3 | 5 | 3.4 | COc1cccc(CC(=O)Nc2ccc3c(ccn3CC(=O)N[C@@H](CC(C)C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2014.06.033 | ||
| 6228509 | 50913 | 8 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.9 | COc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)c(OC)c1 | nan | ||
| CHEMBL1580134 | 50913 | 8 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 309 | 4 | 1 | 4 | 2.9 | COc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)c(OC)c1 | nan | ||
| 2236635 | 33395 | 12 | None | -1 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 425 | 4 | 1 | 4 | 4.6 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1 | nan | ||
| CHEMBL1421442 | 33395 | 12 | None | -1 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 425 | 4 | 1 | 4 | 4.6 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1 | nan | ||
| 44572622 | 172118 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | 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)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL450258 | 172118 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | 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)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 3689411 | 35646 | 5 | None | 5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 446 | 8 | 1 | 3 | 5.1 | O=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)CCl)c1ccc(Cl)cc1 | nan | ||
| CHEMBL1442136 | 35646 | 5 | None | 5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 446 | 8 | 1 | 3 | 5.1 | O=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)CCl)c1ccc(Cl)cc1 | nan | ||
| 2864688 | 36189 | 9 | None | -28 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 4.6 | NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 | nan | ||
| CHEMBL1447076 | 36189 | 9 | None | -28 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 473 | 4 | 1 | 4 | 4.6 | NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 | nan | ||
| 8178372 | 53011 | 2 | None | -5 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | ||
| CHEMBL1599610 | 53011 | 2 | None | -5 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | ||
| 118708031 | 112777 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 303 | 6 | 3 | 4 | 1.8 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(N)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315196 | 112777 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 303 | 6 | 3 | 4 | 1.8 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(N)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 145976898 | 163269 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206391 | 163269 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| 634713 | 36384 | 11 | None | -13 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 428 | 4 | 1 | 8 | 4.2 | Cc1cc(C)n(-c2nc(Nc3ccccc3C(F)(F)F)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| CHEMBL1448732 | 36384 | 11 | None | -13 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 428 | 4 | 1 | 8 | 4.2 | Cc1cc(C)n(-c2nc(Nc3ccccc3C(F)(F)F)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| 776319 | 45611 | 13 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 326 | 3 | 0 | 5 | 3.9 | Cc1ccc(Sc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1 | nan | ||
| CHEMBL1531686 | 45611 | 13 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 326 | 3 | 0 | 5 | 3.9 | Cc1ccc(Sc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1 | nan | ||
| 1894824 | 53770 | 10 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 420 | 4 | 0 | 6 | 4.2 | c1ccc(C(c2ccccc2)N2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1 | nan | ||
| CHEMBL1606390 | 53770 | 10 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 420 | 4 | 0 | 6 | 4.2 | c1ccc(C(c2ccccc2)N2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1 | nan | ||
| 25058324 | 59463 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 3.3 | COc1ccc2sc(-c3ccc(S(C)(=O)=O)cc3)c(C#CCO)c2c1 | nan | ||
| CHEMBL1726559 | 59463 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 3.3 | COc1ccc2sc(-c3ccc(S(C)(=O)=O)cc3)c(C#CCO)c2c1 | nan | ||
| 145975635 | 163223 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| CHEMBL4205887 | 163223 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| 16127648 | 14235 | 0 | None | -2 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | 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 | 14235 | 0 | None | -2 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | 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 | 14235 | 0 | None | -2 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | 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 | ||
| 4475102 | 53204 | 21 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 432 | 3 | 7 | 10 | 0.1 | O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12 | nan | ||
| CHEMBL1601394 | 53204 | 21 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 432 | 3 | 7 | 10 | 0.1 | O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12 | nan | ||
| 1887804 | 112102 | 5 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 396 | 3 | 1 | 5 | 4.3 | O=c1/c(=C\c2cccc(O)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 | nan | ||
| CHEMBL3207339 | 112102 | 5 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 396 | 3 | 1 | 5 | 4.3 | O=c1/c(=C\c2cccc(O)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 | nan | ||
| CHEMBL3302244 | 112102 | 5 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 396 | 3 | 1 | 5 | 4.3 | O=c1/c(=C\c2cccc(O)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 | nan | ||
| 87215 | 55691 | 2 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 400 | 4 | 1 | 1 | 6.7 | Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 | nan | ||
| CHEMBL1552591 | 55691 | 2 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 400 | 4 | 1 | 1 | 6.7 | Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 | nan | ||
| CHEMBL1624440 | 55691 | 2 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 400 | 4 | 1 | 1 | 6.7 | Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 | nan | ||
| 42601134 | 59277 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 403 | 8 | 1 | 5 | 6.4 | CCCCNc1c(-c2cccc(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| CHEMBL1719236 | 59277 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 403 | 8 | 1 | 5 | 6.4 | CCCCNc1c(-c2cccc(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| CHEMBL3196955 | 59277 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 403 | 8 | 1 | 5 | 6.4 | CCCCNc1c(-c2cccc(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| 145975635 | 163223 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| CHEMBL4205887 | 163223 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| 118708057 | 112791 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.1 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cccc4ccccc34)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315222 | 112791 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.1 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cccc4ccccc34)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 145964771 | 163632 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4210760 | 163632 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 145970755 | 164217 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4218115 | 164217 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 2361995 | 48987 | 7 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 500 | 6 | 3 | 4 | 5.7 | Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 | nan | ||
| CHEMBL1563110 | 48987 | 7 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 500 | 6 | 3 | 4 | 5.7 | Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 | nan | ||
| 2136878 | 50659 | 12 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 413 | 5 | 0 | 5 | 5.4 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3)c2cc1OC | nan | ||
| CHEMBL1577981 | 50659 | 12 | None | -3 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 413 | 5 | 0 | 5 | 5.4 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3)c2cc1OC | nan | ||
| 2233014 | 38714 | 9 | None | -16 | 5 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 429 | 7 | 1 | 6 | 4.9 | COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC | nan | ||
| CHEMBL1467999 | 38714 | 9 | None | -16 | 5 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 429 | 7 | 1 | 6 | 4.9 | COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC | nan | ||
| 49837912 | 103801 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099773 | 103801 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 49837912 | 103801 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3099773 | 103801 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2014.06.033 | ||
| 145974670 | 164075 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| CHEMBL4216311 | 164075 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| 145974670 | 164075 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| CHEMBL4216311 | 164075 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| 653059 | 24793 | 2 | None | -3 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 4 | 1 | 5 | 4.7 | Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)CC(C)N2C(=O)C1CC1 | nan | ||
| CHEMBL1346595 | 24793 | 2 | None | -3 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 407 | 4 | 1 | 5 | 4.7 | Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)CC(C)N2C(=O)C1CC1 | nan | ||
| 5360807 | 36980 | 33 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 590 | 13 | 4 | 7 | 5.8 | CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C | nan | ||
| CHEMBL145347 | 36980 | 33 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 590 | 13 | 4 | 7 | 5.8 | CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C | nan | ||
| CHEMBL1489769 | 36980 | 33 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 590 | 13 | 4 | 7 | 5.8 | CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C | nan | ||
| 800455 | 46911 | 17 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 327 | 3 | 2 | 4 | 5.1 | Cc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 | nan | ||
| CHEMBL1543298 | 46911 | 17 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 327 | 3 | 2 | 4 | 5.1 | Cc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1 | nan | ||
| 145964771 | 163632 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4210760 | 163632 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 1574 | 2759 | 17 | None | -30 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 1579 | 2759 | 17 | None | -30 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 25077406 | 2759 | 17 | None | -30 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 3830 | 2759 | 17 | None | -30 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| CHEMBL407196 | 2759 | 17 | None | -30 | 6 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 3237758 | 24995 | 8 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 390 | 3 | 1 | 5 | 4.7 | O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc2c(c1)OCCO2 | nan | ||
| CHEMBL1348181 | 24995 | 8 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 390 | 3 | 1 | 5 | 4.7 | O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc2c(c1)OCCO2 | nan | ||
| 5894133 | 30799 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 314 | 6 | 0 | 6 | 2.9 | COc1cc(C(=O)/C=C/c2cccnc2)c([N+](=O)[O-])cc1OC | nan | ||
| CHEMBL1399212 | 30799 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 314 | 6 | 0 | 6 | 2.9 | COc1cc(C(=O)/C=C/c2cccnc2)c([N+](=O)[O-])cc1OC | nan | ||
| 16196393 | 41243 | 0 | None | -1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 575 | 9 | 3 | 7 | 3.6 | CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)CC1 | nan | ||
| CHEMBL1490916 | 41243 | 0 | None | -1 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 575 | 9 | 3 | 7 | 3.6 | CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)CC1 | nan | ||
| 24891821 | 55383 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 433 | 9 | 1 | 6 | 6.4 | CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| CHEMBL1444683 | 55383 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 433 | 9 | 1 | 6 | 6.4 | CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| CHEMBL1621881 | 55383 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 433 | 9 | 1 | 6 | 6.4 | CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)nc2ccccn12 | nan | ||
| 118708038 | 112784 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cncc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315203 | 112784 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cncc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 118708034 | 112780 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.1 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315199 | 112780 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 414 | 7 | 2 | 3 | 5.1 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 6552076 | 19515 | 1 | None | -9 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 487 | 4 | 0 | 7 | 4.5 | COC(=O)C[C@]1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 | nan | ||
| CHEMBL1301125 | 19515 | 1 | None | -9 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 487 | 4 | 0 | 7 | 4.5 | COC(=O)C[C@]1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 | nan | ||
| 118708056 | 112790 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cnc4ccccc4c3)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315221 | 112790 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cnc4ccccc4c3)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 3816756 | 54802 | 7 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 373 | 5 | 0 | 3 | 3.7 | O=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1 | nan | ||
| CHEMBL1372112 | 54802 | 7 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 373 | 5 | 0 | 3 | 3.7 | O=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1 | nan | ||
| CHEMBL1616855 | 54802 | 7 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 373 | 5 | 0 | 3 | 3.7 | O=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1 | nan | ||
| 7634362 | 22044 | 8 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 393 | 7 | 3 | 7 | 1.8 | CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C | nan | ||
| CHEMBL1323442 | 22044 | 8 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 393 | 7 | 3 | 7 | 1.8 | CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C | nan | ||
| 1181160 | 59679 | 16 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 370 | 3 | 0 | 4 | 4.9 | CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)C1 | nan | ||
| CHEMBL1734949 | 59679 | 16 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 370 | 3 | 0 | 4 | 4.9 | CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)C1 | nan | ||
| 145966676 | 163685 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| CHEMBL4211344 | 163685 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| 1345509 | 45260 | 20 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 5.5 | CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)C1 | nan | ||
| CHEMBL1528569 | 45260 | 20 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 5.5 | CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)C1 | nan | ||
| 2136899 | 20449 | 12 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 431 | 5 | 0 | 5 | 5.5 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC | nan | ||
| CHEMBL1308657 | 20449 | 12 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 431 | 5 | 0 | 5 | 5.5 | COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC | nan | ||
| 1388911 | 53025 | 10 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 400 | 5 | 0 | 7 | 3.1 | COc1ccc(-n2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)cc1 | nan | ||
| CHEMBL1599740 | 53025 | 10 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 400 | 5 | 0 | 7 | 3.1 | COc1ccc(-n2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)cc1 | nan | ||
| 145975635 | 163223 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| CHEMBL4205887 | 163223 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| 1400670 | 24531 | 8 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 392 | 3 | 1 | 6 | 4.3 | Clc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)cc1 | nan | ||
| CHEMBL1344250 | 24531 | 8 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 392 | 3 | 1 | 6 | 4.3 | Clc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)cc1 | nan | ||
| 1224762 | 41168 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 363 | 4 | 1 | 7 | 3.4 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1 | nan | ||
| CHEMBL1490404 | 41168 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 363 | 4 | 1 | 7 | 3.4 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1 | nan | ||
| 3799752 | 26111 | 8 | None | -3 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 397 | 6 | 2 | 6 | 2.4 | COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(Cc3ccccc3)C2=O)c1 | nan | ||
| CHEMBL1358861 | 26111 | 8 | None | -3 | 3 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 397 | 6 | 2 | 6 | 2.4 | COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(Cc3ccccc3)C2=O)c1 | nan | ||
| 1040545 | 54347 | 6 | None | 2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 353 | 10 | 0 | 8 | 1.8 | CCOC(=O)COc1ccc(/C=C/[N+](=O)[O-])c(OCC(=O)OCC)c1 | nan | ||
| CHEMBL1611170 | 54347 | 6 | None | 2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 353 | 10 | 0 | 8 | 1.8 | CCOC(=O)COc1ccc(/C=C/[N+](=O)[O-])c(OCC(=O)OCC)c1 | nan | ||
| 145972052 | 163955 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| CHEMBL4214816 | 163955 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| 678138 | 53063 | 18 | None | 6 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 303 | 4 | 2 | 4 | 1.4 | CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 | nan | ||
| CHEMBL1600146 | 53063 | 18 | None | 6 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 303 | 4 | 2 | 4 | 1.4 | CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 | nan | ||
| 1325215 | 39028 | 6 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 364 | 5 | 1 | 3 | 3.1 | O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 | nan | ||
| CHEMBL1470682 | 39028 | 6 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 364 | 5 | 1 | 3 | 3.1 | O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 | nan | ||
| 145974670 | 164075 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| CHEMBL4216311 | 164075 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| 1257866 | 38760 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 419 | 5 | 2 | 7 | 2.2 | O=C1NC(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N1 | nan | ||
| CHEMBL1468368 | 38760 | 10 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 419 | 5 | 2 | 7 | 2.2 | O=C1NC(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N1 | nan | ||
| 2547793 | 46602 | 6 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 483 | 7 | 0 | 6 | 5.1 | CCc1cccc(CC)c1-n1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccnc1 | nan | ||
| CHEMBL1540679 | 46602 | 6 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 483 | 7 | 0 | 6 | 5.1 | CCc1cccc(CC)c1-n1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccnc1 | nan | ||
| 2060089 | 19362 | 9 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 2.4 | C/C(=C\c1ccc(N(C)C)cc1)[N+](=O)[O-] | nan | ||
| CHEMBL1299997 | 19362 | 9 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 2.4 | C/C(=C\c1ccc(N(C)C)cc1)[N+](=O)[O-] | nan | ||
| 145966776 | 163873 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| CHEMBL4213725 | 163873 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| 118708048 | 112789 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 4.7 | O=C(Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315213 | 112789 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 4.7 | O=C(Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL508338 | 188369 | 0 | None | -51 | 7 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | None | nan | ||||
| 118708037 | 112783 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4cnccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315202 | 112783 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cccc4cnccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 155569737 | 176051 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | 176051 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | 176051 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | 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 | ||
| 145972052 | 163955 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| CHEMBL4214816 | 163955 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| 6001017 | 47277 | 4 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 334 | 3 | 1 | 5 | 3.5 | CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 | nan | ||
| CHEMBL1546134 | 47277 | 4 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 334 | 3 | 1 | 5 | 3.5 | CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 | nan | ||
| 118708044 | 112788 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 439 | 7 | 2 | 6 | 4.3 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)c1nn[nH]n1 | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315209 | 112788 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 439 | 7 | 2 | 6 | 4.3 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3cnc4ccccc4c3)ccc21)c1nn[nH]n1 | 10.1016/j.bmcl.2014.06.033 | ||
| 145970755 | 164217 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4218115 | 164217 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 145977513 | 163002 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| CHEMBL4203162 | 163002 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| 1489267 | 192997 | 13 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 495 | 8 | 1 | 7 | 5.8 | COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl | nan | ||
| CHEMBL532160 | 192997 | 13 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 495 | 8 | 1 | 7 | 5.8 | COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl | nan | ||
| 145975635 | 163223 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| CHEMBL4205887 | 163223 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| 16745378 | 46291 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 462 | 10 | 3 | 5 | 3.8 | CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OCc1ccccc1 | nan | ||
| CHEMBL1538066 | 46291 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 462 | 10 | 3 | 5 | 3.8 | CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OCc1ccccc1 | nan | ||
| 145966676 | 163685 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| CHEMBL4211344 | 163685 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| 118708036 | 112782 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 458 | 8 | 3 | 5 | 4.1 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NC(=O)c3ccnc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315201 | 112782 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 458 | 8 | 3 | 5 | 4.1 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NC(=O)c3ccnc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 145976418 | 163323 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| CHEMBL4206981 | 163323 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| 44572618 | 188384 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL508507 | 188384 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| 2136935 | 51981 | 13 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 0 | 6 | 5.4 | COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1 | nan | ||
| CHEMBL1589062 | 51981 | 13 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 443 | 6 | 0 | 6 | 5.4 | COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1 | nan | ||
| 2136882 | 19772 | 7 | None | -7 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 413 | 5 | 0 | 5 | 5.4 | COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccccc3F)c2cc1OC | nan | ||
| CHEMBL1303193 | 19772 | 7 | None | -7 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 413 | 5 | 0 | 5 | 5.4 | COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccccc3F)c2cc1OC | nan | ||
| 12005285 | 52769 | 6 | None | -3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 8 | 1 | 9 | 4.0 | CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+](=O)[O-] | nan | ||
| CHEMBL1597454 | 52769 | 6 | None | -3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 8 | 1 | 9 | 4.0 | CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+](=O)[O-] | nan | ||
| 1274511 | 47417 | 9 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 8 | 0 | 8 | 2.9 | COC(=O)C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OC | nan | ||
| CHEMBL1547420 | 47417 | 9 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 8 | 0 | 8 | 2.9 | COC(=O)C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OC | nan | ||
| 44572617 | 188201 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | 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[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL505906 | 188201 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | 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[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 44572621 | 187660 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | 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[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL499673 | 187660 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | 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[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 1254872 | 20925 | 12 | None | 3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 449 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cc2ccccc2o1 | nan | ||
| CHEMBL1312502 | 20925 | 12 | None | 3 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 449 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cc2ccccc2o1 | nan | ||
| 1230852 | 36098 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 434 | 6 | 0 | 7 | 4.3 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | nan | ||
| CHEMBL1446377 | 36098 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 434 | 6 | 0 | 7 | 4.3 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | nan | ||
| 1077240 | 22600 | 11 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 436 | 5 | 0 | 8 | 4.9 | Cc1cc(C)n(-c2nc(N(c3ccccc3)c3ccccc3)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| CHEMBL1328169 | 22600 | 11 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 436 | 5 | 0 | 8 | 4.9 | Cc1cc(C)n(-c2nc(N(c3ccccc3)c3ccccc3)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| 2199612 | 51651 | 8 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 4.3 | Cc1cc(C)c2c(c1)/C(=C/C(=O)c1ccc(Br)s1)C(=O)N2 | nan | ||
| CHEMBL1586252 | 51651 | 8 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 4.3 | Cc1cc(C)c2c(c1)/C(=C/C(=O)c1ccc(Br)s1)C(=O)N2 | nan | ||
| 145967420 | 163717 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| CHEMBL4211866 | 163717 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| 6211977 | 52420 | 3 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 370 | 4 | 2 | 7 | 3.8 | CCOC(=O)/C(=C\c1cccc(O)c1)c1nc(O)c2c(C)c(C)sc2n1 | nan | ||
| CHEMBL1594369 | 52420 | 3 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 370 | 4 | 2 | 7 | 3.8 | CCOC(=O)/C(=C\c1cccc(O)c1)c1nc(O)c2c(C)c(C)sc2n1 | nan | ||
| 145970755 | 164217 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4218115 | 164217 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 135548673 | 72535 | 8 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 6 | 2 | 7 | 3.2 | CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3)n2)cc1 | nan | ||
| CHEMBL2003819 | 72535 | 8 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 402 | 6 | 2 | 7 | 3.2 | CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccc(O)cc3)n2)cc1 | nan | ||
| 45490651 | 112775 | 11 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 288 | 6 | 2 | 3 | 2.3 | CC(C)C[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315194 | 112775 | 11 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 288 | 6 | 2 | 3 | 2.3 | CC(C)C[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 5334257 | 108398 | 10 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 511 | 11 | 1 | 8 | 2.6 | COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 | nan | ||
| CHEMBL3210863 | 108398 | 10 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 511 | 11 | 1 | 8 | 2.6 | COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 | nan | ||
| 1919229 | 197374 | 9 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 314 | 8 | 1 | 2 | 5.1 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 | nan | ||
| CHEMBL1613675 | 197374 | 9 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 314 | 8 | 1 | 2 | 5.1 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 | nan | ||
| CHEMBL586602 | 197374 | 9 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 314 | 8 | 1 | 2 | 5.1 | CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 | nan | ||
| 5919900 | 47775 | 16 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 273 | 2 | 0 | 3 | 3.6 | N#CC1=C(c2ccccc2)/C(=C/c2ccccc2)OC1=O | nan | ||
| CHEMBL1550591 | 47775 | 16 | None | -2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 273 | 2 | 0 | 3 | 3.6 | N#CC1=C(c2ccccc2)/C(=C/c2ccccc2)OC1=O | nan | ||
| 8259799 | 40319 | 3 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 406 | 4 | 2 | 4 | 5.8 | O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc(O)c1)c1nc2ccccc2s1 | nan | ||
| CHEMBL1483562 | 40319 | 3 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 406 | 4 | 2 | 4 | 5.8 | O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc(O)c1)c1nc2ccccc2s1 | nan | ||
| 44157038 | 188342 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL508044 | 188342 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| 145976898 | 163269 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206391 | 163269 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| 44572620 | 173276 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | 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[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL453924 | 173276 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | 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[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL501575 | 212358 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | 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@@](C)(N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 44572619 | 171642 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL447400 | 171642 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| 6532771 | 71409 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 496 | 8 | 1 | 8 | 1.5 | CCOC(=O)/C=c1\s/c(=C\c2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCC1CCCO1 | nan | ||
| CHEMBL1966869 | 71409 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 496 | 8 | 1 | 8 | 1.5 | CCOC(=O)/C=c1\s/c(=C\c2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCC1CCCO1 | nan | ||
| 4081288 | 35196 | 6 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 335 | 5 | 1 | 7 | 3.8 | CC(C)c1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1 | nan | ||
| CHEMBL1438069 | 35196 | 6 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 335 | 5 | 1 | 7 | 3.8 | CC(C)c1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1 | nan | ||
| 145967420 | 163717 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| CHEMBL4211866 | 163717 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| 118708058 | 112792 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cncc4ccccc34)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315223 | 112792 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cncc4ccccc34)cc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 5193534 | 55885 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 398 | 4 | 0 | 0 | 7.3 | Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2-c2ccccc2)cc1 | nan | ||
| CHEMBL1611686 | 55885 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 398 | 4 | 0 | 0 | 7.3 | Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2-c2ccccc2)cc1 | nan | ||
| CHEMBL1626297 | 55885 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 398 | 4 | 0 | 0 | 7.3 | Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2-c2ccccc2)cc1 | nan | ||
| 5733602 | 52516 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 321 | 2 | 0 | 4 | 4.6 | CC1=NOC(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
| CHEMBL1595121 | 52516 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 321 | 2 | 0 | 4 | 4.6 | CC1=NOC(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 | nan | ||
| 1547875 | 37030 | 8 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 369 | 4 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2)cc1 | nan | ||
| CHEMBL1453900 | 37030 | 8 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 369 | 4 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2)cc1 | nan | ||
| 11957208 | 55892 | 2 | None | -10 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C | nan | ||
| CHEMBL1340713 | 55892 | 2 | None | -10 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C | nan | ||
| CHEMBL1626334 | 55892 | 2 | None | -10 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C | nan | ||
| CHEMBL500734 | 212342 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||||
| 118708039 | 112785 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 8 | 3 | 5 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(Nc3ccc4cnccc4c3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315204 | 112785 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 430 | 8 | 3 | 5 | 4.5 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(Nc3ccc4cnccc4c3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 44572627 | 187691 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL500173 | 187691 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 1077243 | 37914 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 1 | 8 | 3.5 | Cc1cc(C)n(-c2nc(Nc3ccccc3C)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| CHEMBL1461496 | 37914 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 1 | 8 | 3.5 | Cc1cc(C)n(-c2nc(Nc3ccccc3C)nc(-n3nc(C)cc3C)n2)n1 | nan | ||
| 1619531 | 29611 | 9 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 0 | 6 | 4.5 | Cc1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1387563 | 29611 | 9 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 374 | 4 | 0 | 6 | 4.5 | Cc1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)c([N+](=O)[O-])c1 | nan | ||
| 1504002 | 21834 | 4 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 221 | 1 | 1 | 2 | 2.5 | Nc1ccccc1C#CC(=O)c1ccccc1 | nan | ||
| CHEMBL1321527 | 21834 | 4 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 221 | 1 | 1 | 2 | 2.5 | Nc1ccccc1C#CC(=O)c1ccccc1 | nan | ||
| 4602677 | 29317 | 10 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 309 | 3 | 1 | 5 | 3.4 | CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 | nan | ||
| CHEMBL1385214 | 29317 | 10 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 309 | 3 | 1 | 5 | 3.4 | CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 | nan | ||
| 787747 | 27347 | 10 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 299 | 2 | 1 | 4 | 3.4 | O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(O)cc1 | nan | ||
| CHEMBL1369296 | 27347 | 10 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 299 | 2 | 1 | 4 | 3.4 | O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(O)cc1 | nan | ||
| 6122140 | 47815 | 4 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 358 | 4 | 1 | 2 | 5.6 | O=C(/C(=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1)c1ccccc1 | nan | ||
| CHEMBL1550862 | 47815 | 4 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 358 | 4 | 1 | 2 | 5.6 | O=C(/C(=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1)c1ccccc1 | nan | ||
| 9607375 | 72304 | 7 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 376 | 6 | 1 | 7 | 3.1 | CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1 | nan | ||
| CHEMBL1995726 | 72304 | 7 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 376 | 6 | 1 | 7 | 3.1 | CN(C)S(=O)(=O)c1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1 | nan | ||
| 2971598 | 54030 | 12 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 349 | 3 | 3 | 3 | 3.8 | O=C(CC1Nc2ccccc2NC1=O)Nc1cc(Cl)cc(Cl)c1 | nan | ||
| CHEMBL1608453 | 54030 | 12 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 349 | 3 | 3 | 3 | 3.8 | O=C(CC1Nc2ccccc2NC1=O)Nc1cc(Cl)cc(Cl)c1 | nan | ||
| 2538553 | 42563 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 451 | 5 | 0 | 8 | 5.1 | Cc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCCCC5=O)o4)c23)cc1 | nan | ||
| CHEMBL1502512 | 42563 | 7 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 451 | 5 | 0 | 8 | 5.1 | Cc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCCCC5=O)o4)c23)cc1 | nan | ||
| 3092513 | 55793 | 3 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 449 | 7 | 0 | 4 | 5.4 | Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)OC2CC(C)CCC2C(C)C)c1 | nan | ||
| CHEMBL1586169 | 55793 | 3 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 449 | 7 | 0 | 4 | 5.4 | Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)OC2CC(C)CCC2C(C)C)c1 | nan | ||
| CHEMBL1625353 | 55793 | 3 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 449 | 7 | 0 | 4 | 5.4 | Cc1cccc(OCc2n(C)c3ccccc3[n+]2CC(=O)OC2CC(C)CCC2C(C)C)c1 | nan | ||
| 4576185 | 41574 | 13 | None | -8 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 413 | 7 | 1 | 9 | 3.3 | COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 | nan | ||
| CHEMBL1493442 | 41574 | 13 | None | -8 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 413 | 7 | 1 | 9 | 3.3 | COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 | nan | ||
| 16114081 | 176804 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL463811 | 176804 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 145976898 | 163269 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206391 | 163269 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| 5662106 | 22299 | 8 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 257 | 4 | 0 | 4 | 2.8 | CN(C)c1ccc(-n2cccc2/C=C/[N+](=O)[O-])cc1 | nan | ||
| CHEMBL1325640 | 22299 | 8 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 257 | 4 | 0 | 4 | 2.8 | CN(C)c1ccc(-n2cccc2/C=C/[N+](=O)[O-])cc1 | nan | ||
| 2281759 | 22850 | 7 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 4.1 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c1 | nan | ||
| CHEMBL1330390 | 22850 | 7 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 405 | 3 | 1 | 4 | 4.1 | Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)c1 | nan | ||
| 4353821 | 53035 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 409 | 7 | 1 | 6 | 3.1 | CCCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C | nan | ||
| CHEMBL1599800 | 53035 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 409 | 7 | 1 | 6 | 3.1 | CCCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C | nan | ||
| 145967420 | 163717 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| CHEMBL4211866 | 163717 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| 3350604 | 38320 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 434 | 9 | 1 | 7 | 2.3 | CC(CCc1ccccc1)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 | nan | ||
| CHEMBL1464832 | 38320 | 6 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 434 | 9 | 1 | 7 | 2.3 | CC(CCc1ccccc1)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 | nan | ||
| 118708035 | 112781 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 493 | 9 | 3 | 5 | 4.2 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315200 | 112781 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 493 | 9 | 3 | 5 | 4.2 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 2848959 | 22639 | 20 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 265 | 2 | 0 | 4 | 3.1 | COc1cc2c(cc1OC)C(SC)=NC(C)(C)C2 | nan | ||
| CHEMBL1328520 | 22639 | 20 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 265 | 2 | 0 | 4 | 3.1 | COc1cc2c(cc1OC)C(SC)=NC(C)(C)C2 | nan | ||
| 5346304 | 40414 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 313 | 6 | 0 | 5 | 3.5 | COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OC | nan | ||
| CHEMBL1484272 | 40414 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 313 | 6 | 0 | 5 | 3.5 | COc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1OC | nan | ||
| 118708032 | 112778 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 364 | 7 | 2 | 3 | 3.9 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3ccccc3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315197 | 112778 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 364 | 7 | 2 | 3 | 3.9 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(-c3ccccc3)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 887759 | 51337 | 8 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 243 | 4 | 0 | 3 | 3.5 | CCOc1ccc(/C=C/[N+](=O)[O-])c2ccccc12 | nan | ||
| CHEMBL1583665 | 51337 | 8 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 243 | 4 | 0 | 3 | 3.5 | CCOc1ccc(/C=C/[N+](=O)[O-])c2ccccc12 | nan | ||
| 25110544 | 41141 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 377 | 3 | 3 | 6 | 4.9 | N#Cc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1C(F)(F)F | nan | ||
| CHEMBL1490267 | 41141 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 377 | 3 | 3 | 6 | 4.9 | N#Cc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1C(F)(F)F | nan | ||
| 145976418 | 163323 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| CHEMBL4206981 | 163323 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| 145976418 | 163323 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| CHEMBL4206981 | 163323 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| 1547881 | 50557 | 2 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 399 | 6 | 3 | 6 | 4.2 | CCOc1ccc(C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2)cc1 | nan | ||
| CHEMBL1577072 | 50557 | 2 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 399 | 6 | 3 | 6 | 4.2 | CCOc1ccc(C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2)cc1 | nan | ||
| 4112227 | 33249 | 10 | None | -2 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 392 | 3 | 0 | 7 | 4.0 | Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 | nan | ||
| CHEMBL1420175 | 33249 | 10 | None | -2 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 392 | 3 | 0 | 7 | 4.0 | Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 | nan | ||
| 4898241 | 37917 | 5 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 527 | 3 | 2 | 4 | 5.4 | CCc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12 | nan | ||
| CHEMBL1461508 | 37917 | 5 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 527 | 3 | 2 | 4 | 5.4 | CCc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12 | nan | ||
| 661231 | 31732 | 9 | None | 2 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 3 | 0 | 6 | 3.8 | Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1 | nan | ||
| CHEMBL1407659 | 31732 | 9 | None | 2 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 3 | 0 | 6 | 3.8 | Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1 | nan | ||
| 44157039 | 176445 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| CHEMBL463227 | 176445 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2009.01.024 | ||
| 2295300 | 36173 | 10 | None | -7 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 356 | 8 | 1 | 5 | 3.7 | CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C | nan | ||
| CHEMBL1446971 | 36173 | 10 | None | -7 | 5 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 356 | 8 | 1 | 5 | 3.7 | CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C | nan | ||
| 56723766 | 112776 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 6 | 2 | 3 | 3.0 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| CHEMBL3315195 | 112776 | 10 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 366 | 6 | 2 | 3 | 3.0 | CC(C)C[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)C(=O)O | 10.1016/j.bmcl.2014.06.033 | ||
| 44581036 | 187307 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| CHEMBL496585 | 187307 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| 4308 | 100611 | 45 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 353 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| CHEMBL294989 | 100611 | 45 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 353 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| 1580 | 3595 | 39 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | 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.2014.06.033 | ||
| 5311451 | 3595 | 39 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | 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.2014.06.033 | ||
| CHEMBL3040381 | 3595 | 39 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | 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.2014.06.033 | ||
| 1574 | 2759 | 17 | None | -30 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 1579 | 2759 | 17 | None | -30 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 25077406 | 2759 | 17 | None | -30 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 3830 | 2759 | 17 | None | -30 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| CHEMBL407196 | 2759 | 17 | None | -30 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.09.075 | ||||
| 119192 | 2436 | 48 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | 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.bmcl.2014.06.033 | ||
| 1582 | 2436 | 48 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | 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.bmcl.2014.06.033 | ||
| CHEMBL506981 | 2436 | 48 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | 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.bmcl.2014.06.033 | ||
| DB06455 | 2436 | 48 | None | 1 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | 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.bmcl.2014.06.033 | ||
| CHEMBL2310906 | 207744 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)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 | 10.1016/j.bmc.2008.08.051 | ||||
| 1576 | 2236 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 11811984 | ||||
| 5307 | 224 | 0 | None | - | 1 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 20481538 | ||||
| 5307 | 224 | 0 | None | - | 1 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 30986796 | ||||
| 119192 | 2436 | 48 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 9023294 | ||
| 1582 | 2436 | 48 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 9023294 | ||
| CHEMBL506981 | 2436 | 48 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 9023294 | ||
| DB06455 | 2436 | 48 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 9023294 | ||
| 5306 | 2145 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 16095636 | ||||
| 46866109 | 223 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 22459147 | ||||
| 46866109 | 223 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 31770520 | ||||
| 5308 | 223 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 22459147 | ||||
| 5308 | 223 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 31770520 | ||||
| CHEMBL1170625 | 223 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 22459147 | ||||
| CHEMBL1170625 | 223 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C | 31770520 | ||||
| 1577 | 2237 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 11811984 | ||||
| 1580 | 3595 | 39 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 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 | 9023294 | ||
| 5311451 | 3595 | 39 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 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 | 9023294 | ||
| CHEMBL3040381 | 3595 | 39 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 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 | 9023294 | ||
| 1575 | 1138 | 0 | None | -1 | 3 | Human | 6.0 | pIC50 | None | 6 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 1575 | 1138 | 0 | None | 1 | 3 | Rat | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 101205709 | 3742 | 0 | None | -3 | 3 | Rat | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 1573 | 3742 | 0 | None | -3 | 3 | Rat | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 101205709 | 3742 | 0 | None | 3 | 3 | Human | 7.6 | pIC50 | None | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 1573 | 3742 | 0 | None | 3 | 3 | Human | 7.6 | pIC50 | None | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 10318778 | ||||
| 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 |
| CHEMBL3622803 | 210125 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | 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 | ||||
| 1569 | 2086 | 27 | None | - | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| 5311318 | 2086 | 27 | None | - | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL415788 | 2086 | 27 | None | - | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL3622802 | 210124 | 0 | None | - | 0 | Rat | 8.9 | pEC50 | = | 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](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 | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL3622802 | 210124 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | 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[C@@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL3622802 | 210124 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | 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[C@@H](C[Si](C)(C)C)C(=O)O | 10.1021/acs.jmedchem.5b00841 | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| 16127648 | 14235 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 14235 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 14235 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||
| 1580 | 3595 | 39 | None | 1 | 4 | Human | 5.0 | pEC50 | = | 5 | 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/ml400176n | ||
| 5311451 | 3595 | 39 | None | 1 | 4 | Human | 5.0 | pEC50 | = | 5 | 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/ml400176n | ||
| CHEMBL3040381 | 3595 | 39 | None | 1 | 4 | Human | 5.0 | pEC50 | = | 5 | 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/ml400176n | ||
| 53245521 | 91957 | 1 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1ccc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 | 10.1021/ml400176n | ||
| CHEMBL2431125 | 91957 | 1 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1ccc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 | 10.1021/ml400176n | ||
| 118610278 | 168932 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 430 | 7 | 0 | 5 | 5.7 | CCCN(C)c1ccc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4434705 | 168932 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 430 | 7 | 0 | 5 | 5.7 | CCCN(C)c1ccc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118617781 | 174605 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](O)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4570744 | 174605 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](O)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 90237596 | 171573 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 4.9 | COc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2cc1OC | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4473181 | 171573 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 0 | 6 | 4.9 | COc1cc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2cc1OC | 10.1021/acs.jmedchem.9b00340 | ||
| 118610372 | 171384 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.7 | COc1ccccc1C1CCN(c2nc(C3CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4470647 | 171384 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.7 | COc1ccccc1C1CCN(c2nc(C3CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610470 | 170129 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 464 | 8 | 0 | 6 | 5.1 | COCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4451959 | 170129 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 464 | 8 | 0 | 6 | 5.1 | COCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL3622803 | 210125 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||||
| 90237648 | 175591 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 8 | 0 | 6 | 5.0 | COCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4593175 | 175591 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 446 | 8 | 0 | 6 | 5.0 | COCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| 51035368 | 92022 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431231 | 92022 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 52914819 | 92025 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 438 | 5 | 0 | 6 | 4.9 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4Cl)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431234 | 92025 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 438 | 5 | 0 | 6 | 4.9 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4Cl)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 118617733 | 169158 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(C)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4438479 | 169158 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(C)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610427 | 174853 | 19 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4576388 | 174853 | 19 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 53245615 | 91947 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 4.6 | COc1cc2nc(Cc3ccccc3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431114 | 91947 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 4.6 | COc1cc2nc(Cc3ccccc3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 56593284 | 91955 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 3.9 | COc1cc2nc(CC3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431122 | 91955 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 3.9 | COc1cc2nc(CC3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 118617715 | 169295 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 5.8 | CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4440438 | 169295 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 5.8 | CCCN(C)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118617724 | 169171 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 460 | 7 | 1 | 6 | 4.9 | COc1ccccc1C1CCN(c2nc(C3(C)CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4438637 | 169171 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 460 | 7 | 1 | 6 | 4.9 | COc1ccccc1C1CCN(c2nc(C3(C)CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 56593282 | 91951 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 436 | 7 | 0 | 7 | 4.2 | COc1cc2nc(CC(C)C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431118 | 91951 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 436 | 7 | 0 | 7 | 4.2 | COc1cc2nc(CC(C)C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 51035373 | 92023 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 4.6 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4C)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431232 | 92023 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 4.6 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4C)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 118610338 | 172370 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4517098 | 172370 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(C)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610426 | 173410 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(F)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4542358 | 173410 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(F)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL3622801 | 210123 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||||
| 54758538 | 91949 | 1 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 422 | 7 | 0 | 7 | 3.9 | CCCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | ||
| CHEMBL2431116 | 91949 | 1 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 422 | 7 | 0 | 7 | 3.9 | CCCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | ||
| 73349346 | 92027 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 5.0 | CCOc1cc2c(N3CCN(c4cccc(OC)c4)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431236 | 92027 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 5.0 | CCOc1cc2c(N3CCN(c4cccc(OC)c4)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| 118617570 | 174667 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 519 | 8 | 0 | 7 | 4.7 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4572231 | 174667 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 519 | 8 | 0 | 7 | 4.7 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 52914822 | 92024 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 422 | 5 | 0 | 6 | 4.4 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4F)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431233 | 92024 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 422 | 5 | 0 | 6 | 4.4 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4F)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 162673667 | 182509 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2214 | 71 | 33 | 31 | -6.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1039/d0md00173b | ||
| CHEMBL4794546 | 182509 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 2214 | 71 | 33 | 31 | -6.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1039/d0md00173b | ||
| 53245590 | 91953 | 38 | None | - | 4 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431120 | 91953 | 38 | None | - | 4 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 49837912 | 103801 | 3 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099773 | 103801 | 3 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 56593272 | 91963 | 1 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 424 | 5 | 0 | 6 | 4.5 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4Cl)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431131 | 91963 | 1 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 424 | 5 | 0 | 6 | 4.5 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4Cl)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 4679731 | 91964 | 8 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 456 | 6 | 0 | 7 | 4.6 | COc1cc2nc(-c3ccccc3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431133 | 91964 | 8 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 456 | 6 | 0 | 7 | 4.6 | COc1cc2nc(-c3ccccc3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL3622805 | 210127 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||||
| CHEMBL3622803 | 210125 | 0 | None | - | 0 | Rat | 7.7 | pEC50 | = | 7.7 | 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 | ||||
| 118617949 | 171084 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(Cl)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4466155 | 171084 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3c(Cl)cc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118617631 | 175320 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 460 | 8 | 0 | 6 | 5.2 | COCCN(C)c1ccc2nc(C3(C)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4586953 | 175320 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 460 | 8 | 0 | 6 | 5.2 | COCCN(C)c1ccc2nc(C3(C)CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| 50919376 | 103798 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 4.9 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099769 | 103798 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 487 | 9 | 2 | 6 | 4.9 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 53245626 | 91959 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 374 | 4 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(c2nc(C3CCC3)nc3ccccc23)CC1 | 10.1021/ml400176n | ||
| CHEMBL2431127 | 91959 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 374 | 4 | 0 | 5 | 4.2 | COc1ccccc1N1CCN(c2nc(C3CCC3)nc3ccccc23)CC1 | 10.1021/ml400176n | ||
| 73350917 | 92029 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 500 | 8 | 0 | 8 | 5.0 | CCOc1cc2c(N3CCN(c4ccc(OC)cc4OC)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431238 | 92029 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 500 | 8 | 0 | 8 | 5.0 | CCOc1cc2c(N3CCN(c4ccc(OC)cc4OC)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| 56593291 | 91942 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 418 | 6 | 0 | 6 | 4.2 | COc1cc2nc(C3CC3)nc(N3CCN(Cc4ccc(C)cc4)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431106 | 91942 | 1 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 418 | 6 | 0 | 6 | 4.2 | COc1cc2nc(C3CC3)nc(N3CCN(Cc4ccc(C)cc4)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL3622801 | 210123 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||||
| 1230851 | 32890 | 3 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 405 | 5 | 0 | 7 | 3.6 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccn4)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL1417160 | 32890 | 3 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 405 | 5 | 0 | 7 | 3.6 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccn4)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 56593281 | 91956 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 598 | 10 | 0 | 10 | 4.4 | COc1cc2nc(CCN3CCN(c4ccccc4OC)CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431124 | 91956 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 598 | 10 | 0 | 10 | 4.4 | COc1cc2nc(CCN3CCN(c4ccccc4OC)CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 118610423 | 170330 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 4.8 | COc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4454815 | 170330 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 464 | 7 | 1 | 6 | 4.8 | COc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610386 | 170730 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 472 | 6 | 0 | 6 | 5.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)CC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4460973 | 170730 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 472 | 6 | 0 | 6 | 5.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(OC)CC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 53245590 | 91953 | 38 | None | - | 4 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL2431120 | 91953 | 38 | None | - | 4 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/acs.jmedchem.9b00340 | ||
| 53245542 | 91958 | 1 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1ccc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CCC3)nc2c1 | 10.1021/ml400176n | ||
| CHEMBL2431126 | 91958 | 1 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 404 | 5 | 0 | 6 | 4.2 | COc1ccc2c(N3CCN(c4ccccc4OC)CC3)nc(C3CCC3)nc2c1 | 10.1021/ml400176n | ||
| 118617560 | 170214 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 5.9 | CCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1F | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4453074 | 170214 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 448 | 7 | 0 | 5 | 5.9 | CCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1F | 10.1021/acs.jmedchem.9b00340 | ||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 4.5 | pEC50 | = | 4.5 | 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.bmcl.2013.11.026 | ||
| 1582 | 2436 | 48 | None | -3 | 9 | Human | 4.5 | pEC50 | = | 4.5 | 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.bmcl.2013.11.026 | ||
| CHEMBL506981 | 2436 | 48 | None | -3 | 9 | Human | 4.5 | pEC50 | = | 4.5 | 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.bmcl.2013.11.026 | ||
| DB06455 | 2436 | 48 | None | -3 | 9 | Human | 4.5 | pEC50 | = | 4.5 | 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.bmcl.2013.11.026 | ||
| 90237301 | 171696 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 515 | 8 | 0 | 7 | 4.8 | COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4474648 | 171696 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 515 | 8 | 0 | 7 | 4.8 | COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610411 | 171255 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 500 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4468649 | 171255 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 500 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610427 | 174853 | 19 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4576388 | 174853 | 19 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.4 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 53245574 | 91960 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 418 | 4 | 0 | 7 | 4.0 | COc1ccccc1N1CCN(c2nc(C3CCC3)nc3cc4c(cc23)OCO4)CC1 | 10.1021/ml400176n | ||
| CHEMBL2431128 | 91960 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 418 | 4 | 0 | 7 | 4.0 | COc1ccccc1N1CCN(c2nc(C3CCC3)nc3cc4c(cc23)OCO4)CC1 | 10.1021/ml400176n | ||
| 53245590 | 91953 | 38 | None | - | 4 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431120 | 91953 | 38 | None | - | 4 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 420 | 6 | 0 | 7 | 3.9 | COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 56593288 | 91943 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 3.9 | COc1ccccc1CN1CCN(c2nc(C3CC3)nc3cc(OC)c(OC)cc23)CC1 | 10.1021/ml400176n | ||
| CHEMBL2431107 | 91943 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 3.9 | COc1ccccc1CN1CCN(c2nc(C3CC3)nc3cc(OC)c(OC)cc23)CC1 | 10.1021/ml400176n | ||
| 50919365 | 103805 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.3 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2ccccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099777 | 103805 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.3 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2ccccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 118617792 | 169846 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 569 | 8 | 0 | 7 | 5.4 | COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4448328 | 169846 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 569 | 8 | 0 | 7 | 5.4 | COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610255 | 169097 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 460 | 7 | 1 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CCCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4437603 | 169097 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 460 | 7 | 1 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CCCC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL3622805 | 210127 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | 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 | ||||
| 56593278 | 91961 | 1 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 390 | 5 | 0 | 6 | 3.9 | COc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 | 10.1021/ml400176n | ||
| CHEMBL2431129 | 91961 | 1 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 390 | 5 | 0 | 6 | 3.9 | COc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 | 10.1021/ml400176n | ||
| 118610246 | 170981 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 468 | 7 | 1 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4464635 | 170981 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 468 | 7 | 1 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(-c3ccccc3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 56593293 | 91948 | 1 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 408 | 6 | 0 | 7 | 3.5 | CCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | ||
| CHEMBL2431115 | 91948 | 1 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 408 | 6 | 0 | 7 | 3.5 | CCc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | ||
| 118617787 | 169782 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](O)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4447601 | 169782 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](O)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 56593289 | 91944 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 3.5 | COc1cc2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431108 | 91944 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 418 | 5 | 0 | 6 | 3.5 | COc1cc2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 73355398 | 92028 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 5.0 | CCOc1cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431237 | 92028 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 470 | 7 | 0 | 7 | 5.0 | CCOc1cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| 50919370 | 103799 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099771 | 103799 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 586 | 7 | 2 | 7 | 5.8 | COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 90237403 | 173088 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 432 | 7 | 1 | 6 | 4.3 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4534863 | 173088 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 432 | 7 | 1 | 6 | 4.3 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610402 | 169654 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(Cl)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4445632 | 169654 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(Cl)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 50919363 | 103796 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 530 | 7 | 2 | 5 | 6.3 | CC(C)C[C@H](NC(=O)c1cn(-c2ccnc3cc(Cl)ccc23)c(-c2c(Cl)cccc2Cl)n1)C(=O)O | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099767 | 103796 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 530 | 7 | 2 | 5 | 6.3 | CC(C)C[C@H](NC(=O)c1cn(-c2ccnc3cc(Cl)ccc23)c(-c2c(Cl)cccc2Cl)n1)C(=O)O | 10.1016/j.bmcl.2013.11.026 | ||
| 118617645 | 169947 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3cc(C)c(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4449708 | 169947 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.6 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3cc(C)c(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 90236942 | 170784 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 416 | 6 | 0 | 5 | 5.4 | CCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4461671 | 170784 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 416 | 6 | 0 | 5 | 5.4 | CCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| 49837903 | 103803 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099775 | 103803 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 53245571 | 91954 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 448 | 6 | 0 | 7 | 4.6 | COc1cc2nc(C3CCCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431121 | 91954 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 448 | 6 | 0 | 7 | 4.6 | COc1cc2nc(C3CCCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 118617599 | 171261 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4468696 | 171261 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 450 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCO)c(F)c23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 1230852 | 36098 | 3 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 434 | 6 | 0 | 7 | 4.3 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL1446377 | 36098 | 3 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 434 | 6 | 0 | 7 | 4.3 | COc1cc2nc(C3CCC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 118617901 | 173819 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3cc(Cl)c(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4552414 | 173819 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 466 | 7 | 1 | 6 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3cc(Cl)c(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 49837912 | 103801 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099773 | 103801 | 3 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 56593290 | 91962 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 4.3 | CCOc1ccccc1N1CCN(c2nc(C3CC3)nc3cc(OC)c(OC)cc23)CC1 | 10.1021/ml400176n | ||
| CHEMBL2431130 | 91962 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 434 | 7 | 0 | 7 | 4.3 | CCOc1ccccc1N1CCN(c2nc(C3CC3)nc3cc(OC)c(OC)cc23)CC1 | 10.1021/ml400176n | ||
| 73356947 | 91946 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 468 | 6 | 0 | 6 | 5.6 | CCOc1cc2c(N3CCN(c4c(C)cccc4C)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431111 | 91946 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 468 | 6 | 0 | 6 | 5.6 | CCOc1cc2c(N3CCN(c4c(C)cccc4C)CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| 118617789 | 170250 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 458 | 6 | 0 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](OC)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4453565 | 170250 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 458 | 6 | 0 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@@H](OC)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 49837921 | 103806 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 438 | 9 | 2 | 7 | 3.2 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccncc1 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099780 | 103806 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 438 | 9 | 2 | 7 | 3.2 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccncc1 | 10.1016/j.bmcl.2013.11.026 | ||
| 155283653 | 170715 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 416 | 6 | 0 | 5 | 5.4 | CCN(C)c1cccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c12 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4460691 | 170715 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 416 | 6 | 0 | 5 | 5.4 | CCN(C)c1cccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c12 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610404 | 173909 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.9 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)CC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4554583 | 173909 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.9 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)CC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 56593279 | 91945 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 448 | 6 | 0 | 7 | 3.5 | COc1cc2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431109 | 91945 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 448 | 6 | 0 | 7 | 3.5 | COc1cc2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 56593273 | 91952 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 406 | 6 | 0 | 7 | 3.6 | C=Cc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | ||
| CHEMBL2431119 | 91952 | 1 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 406 | 6 | 0 | 7 | 3.6 | C=Cc1nc(N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2n1 | 10.1021/ml400176n | ||
| 90237466 | 174040 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 403 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4557702 | 174040 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 403 | 5 | 0 | 6 | 3.9 | COc1ccccc1N1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 49837919 | 103804 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 462 | 7 | 2 | 5 | 5.0 | CC(C)C[C@H](NC(=O)c1cn(-c2ccnc3cc(Cl)ccc23)c(-c2ccccc2)n1)C(=O)O | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099776 | 103804 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 462 | 7 | 2 | 5 | 5.0 | CC(C)C[C@H](NC(=O)c1cn(-c2ccnc3cc(Cl)ccc23)c(-c2ccccc2)n1)C(=O)O | 10.1016/j.bmcl.2013.11.026 | ||
| 90237332 | 174183 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 430 | 7 | 0 | 5 | 5.7 | CCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4561093 | 174183 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 430 | 7 | 0 | 5 | 5.7 | CCCN(C)c1ccc2nc(C3CC3)nc(N3CCC(c4ccccc4OC)CC3)c2c1 | 10.1021/acs.jmedchem.9b00340 | ||
| 44157038 | 188342 | 11 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/ml400176n | ||
| CHEMBL508044 | 188342 | 11 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1021/ml400176n | ||
| 44157038 | 188342 | 11 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL508044 | 188342 | 11 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 73352405 | 92026 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 4.9 | CCOc1cc2c(N3CCN(c4ccccc4[N+](=O)[O-])CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431235 | 92026 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 485 | 7 | 0 | 8 | 4.9 | CCOc1cc2c(N3CCN(c4ccccc4[N+](=O)[O-])CC3)nc(-c3ccccc3)nc2cc1OC | 10.1021/ml400176n | ||
| 54758539 | 91950 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 422 | 6 | 0 | 7 | 4.1 | COc1cc2nc(C(C)C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| CHEMBL2431117 | 91950 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 422 | 6 | 0 | 7 | 4.1 | COc1cc2nc(C(C)C)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC | 10.1021/ml400176n | ||
| 118610260 | 170158 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 458 | 6 | 0 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](OC)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4452254 | 170158 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 458 | 6 | 0 | 6 | 5.1 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CC[C@H](OC)C4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 90237274 | 171693 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 0 | 7 | 4.7 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4474616 | 171693 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 0 | 7 | 4.7 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 90237040 | 172825 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4528434 | 172825 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 5.0 | COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118610314 | 170684 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 420 | 5 | 0 | 5 | 5.0 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4460206 | 170684 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 420 | 5 | 0 | 5 | 5.0 | COc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3ccc(N(C)C)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 50898052 | 103797 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 5.6 | Cc1cccc(C)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099768 | 103797 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 5.6 | Cc1cccc(C)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 53495081 | 103802 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099774 | 103802 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 76324673 | 103800 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099772 | 103800 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 5.0 | COc1ccccc1-c1cc(C(=O)N[C@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 118617810 | 175158 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4583177 | 175158 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 446 | 7 | 1 | 6 | 4.5 | COc1ccccc1C1CCN(c2nc(C3(C)CC3)nc3ccc(N(C)CCO)cc23)CC1 | 10.1021/acs.jmedchem.9b00340 | ||
| 118617765 | 174334 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 444 | 7 | 0 | 5 | 6.1 | CCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1C | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL4564639 | 174334 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 444 | 7 | 0 | 5 | 6.1 | CCCN(C)c1cc2c(N3CCC(c4ccccc4OC)CC3)nc(C3CC3)nc2cc1C | 10.1021/acs.jmedchem.9b00340 | ||
| CHEMBL3622802 | 210124 | 0 | None | - | 0 | Human | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[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 | ||||
| CHEMBL2369722 | 207904 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | 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](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | ||||
| 56661177 | 62913 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1018 | 37 | 15 | 15 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | ||
| CHEMBL1791383 | 62913 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1018 | 37 | 15 | 15 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030081k | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 1580 | 3595 | 39 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | 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.2013.11.026 | ||
| 5311451 | 3595 | 39 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | 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.2013.11.026 | ||
| CHEMBL3040381 | 3595 | 39 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | 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.2013.11.026 | ||
| 1580 | 3595 | 39 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | 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/ml400176n | ||
| 5311451 | 3595 | 39 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | 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/ml400176n | ||
| CHEMBL3040381 | 3595 | 39 | None | 1 | 4 | Human | 9.6 | pIC50 | = | 9.6 | 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/ml400176n | ||
| 44354303 | 23240 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | 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 | 23240 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | 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 | ||
| 72548703 | 161007 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL4128926 | 161007 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL336836 | 209832 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | 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 | ||||
| 44354113 | 23877 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | 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 | 23877 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | 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 | ||
| CHEMBL408127 | 210945 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCC(CN)CC1)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL408381 | 210954 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCNCC1)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| 44354087 | 22267 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 22267 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
| 44354245 | 167273 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 167273 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
| 44354244 | 167751 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 167751 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.5 | pIC50 | = | 9.5 | 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/jm0300633 | ||||
| CHEMBL2369722 | 207904 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| CHEMBL258221 | 208761 | 13 | None | 2 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | ||||
| 44354154 | 19320 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 19320 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
| 44354212 | 116188 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 116188 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
| 44354302 | 23293 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | 23293 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | ||
| 44354075 | 116253 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | 116253 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | ||
| CHEMBL468951 | 212260 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | 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](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| CHEMBL2370478 | 208098 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)c1ccc(NC(=N)N)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL404942 | 210778 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](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)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL408638 | 210968 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL409477 | 211009 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||||
| 44354120 | 22130 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | 22130 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | ||
| 44354085 | 22250 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | 22250 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | ||
| CHEMBL439494 | 212084 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0300633 | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 56661177 | 62913 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1018 | 37 | 15 | 15 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | ||
| CHEMBL1791383 | 62913 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 1018 | 37 | 15 | 15 | -3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm060415g | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 90663196 | 106122 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1499 | 27 | 18 | 18 | 3.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1OC2(c3ccc(O)cc3OC3C=C(O)C=CC32)c2ccc(NC(=N)S)cc21)C1CCNCC1)C1CCC(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||
| CHEMBL3142915 | 106122 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1499 | 27 | 18 | 18 | 3.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1OC2(c3ccc(O)cc3OC3C=C(O)C=CC32)c2ccc(NC(=N)S)cc21)C1CCNCC1)C1CCC(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||
| CHEMBL2369628 | 207888 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||||
| 44413847 | 136674 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| CHEMBL375002 | 136674 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| 44354211 | 22567 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 22567 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | ||
| 44354112 | 23876 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 23876 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | ||
| 44354304 | 116541 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | 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 | 116541 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | 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 | ||
| 122197319 | 132925 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1485 | 32 | 18 | 18 | 3.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCNC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||
| CHEMBL3706654 | 132925 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1485 | 32 | 18 | 18 | 3.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCNC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||
| CHEMBL2369133 | 207839 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL386387 | 210624 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](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)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)O | 10.1021/jm030081k | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060415g | ||||
| 44413846 | 83019 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1018 | 35 | 15 | 15 | -3.0 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| CHEMBL219862 | 83019 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1018 | 35 | 15 | 15 | -3.0 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.7b00500 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.7b00500 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.7b00500 | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b00841 | ||||
| 44413847 | 136674 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| CHEMBL375002 | 136674 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| CHEMBL504768 | 212403 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | 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](CCCNC(=N)N)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 9.0 | pIC50 | = | 9 | 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/jm801072v | ||
| 1582 | 2436 | 48 | None | -3 | 9 | Human | 9.0 | pIC50 | = | 9 | 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/jm801072v | ||
| CHEMBL506981 | 2436 | 48 | None | -3 | 9 | Human | 9.0 | pIC50 | = | 9 | 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/jm801072v | ||
| DB06455 | 2436 | 48 | None | -3 | 9 | Human | 9.0 | pIC50 | = | 9 | 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/jm801072v | ||
| CHEMBL1086462 | 206744 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2010.04.038 | ||||
| 122197320 | 132926 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1485 | 32 | 18 | 18 | 3.4 | 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](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(N)=S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||
| CHEMBL3706655 | 132926 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1485 | 32 | 18 | 18 | 3.4 | 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](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(N)=S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||
| 44354086 | 116266 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 116266 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | ||
| CHEMBL138970 | 207005 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 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](CCCN)NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | ||||
| 127032102 | 138655 | 0 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 138655 | 0 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 138655 | 0 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | 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 | ||
| 127032412 | 138657 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 138657 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 138657 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 138657 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 138657 | 0 | None | 4 | 2 | Human | 8.9 | pIC50 | = | 8.9 | 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 | ||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 8.9 | pIC50 | = | 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/jm801072v | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | ||||
| CHEMBL437707 | 211972 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)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)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| 44413846 | 83019 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1018 | 35 | 15 | 15 | -3.0 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| CHEMBL219862 | 83019 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1018 | 35 | 15 | 15 | -3.0 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| 44354305 | 23795 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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 | 23795 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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 | ||
| 127033029 | 138662 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)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 | ||
| CHEMBL3786771 | 138662 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)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 | ||
| CHEMBL3787711 | 138662 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)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 | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| CHEMBL342252 | 209917 | 0 | None | - | 4 | Rat | 8.0 | pIC50 | = | 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](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | ||||
| CHEMBL2369627 | 207887 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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](CCCN=C(N)N)NC(=O)[C@H](CCc1ccnc(N)n1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||||
| 44572617 | 188201 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | 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[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL505906 | 188201 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | 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[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 145990648 | 166356 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4286652 | 166356 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| 90663479 | 106190 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 828 | 25 | 11 | 11 | -1.2 | CC[C@H](C)[C@H](NC(C#N)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | ||
| CHEMBL3143475 | 106190 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 828 | 25 | 11 | 11 | -1.2 | CC[C@H](C)[C@H](NC(C#N)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | ||
| 145994034 | 166760 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 771 | 15 | 8 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCOC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4294207 | 166760 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 771 | 15 | 8 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCOC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL2370479 | 208099 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL405160 | 210789 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL407187 | 210887 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL410289 | 211054 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL3143232 | 209384 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 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](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)C[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | ||||
| 10079267 | 106178 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 849 | 25 | 12 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=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)Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | ||
| CHEMBL3143334 | 106178 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 849 | 25 | 12 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=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)Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | ||
| CHEMBL3143232 | 209384 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | 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](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)C[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | ||||
| 145974670 | 164075 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| CHEMBL4216311 | 164075 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| 44572621 | 187660 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | 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[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL499673 | 187660 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | 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[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 145975635 | 163223 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| CHEMBL4205887 | 163223 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| 44354121 | 167909 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 167909 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| CHEMBL343970 | 209946 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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](CCCNCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | ||||
| CHEMBL508380 | 213101 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 145980057 | 165959 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 811 | 28 | 7 | 8 | 4.4 | C=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4279055 | 165959 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 811 | 28 | 7 | 8 | 4.4 | C=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acsmedchemlett.7b00500 | ||
| 145980071 | 165980 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4279408 | 165980 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| 10079267 | 106178 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 849 | 25 | 12 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=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)Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | ||
| CHEMBL3143334 | 106178 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 849 | 25 | 12 | 10 | 0.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=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)Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | ||
| CHEMBL3622806 | 210128 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 210125 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||||
| CHEMBL3143232 | 209384 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 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](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)C[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | ||||
| 145979804 | 166176 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 713 | 22 | 8 | 9 | 0.6 | C=CC[C@H](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](CC=C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4283301 | 166176 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 713 | 22 | 8 | 9 | 0.6 | C=CC[C@H](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](CC=C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| 145989581 | 166607 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4291157 | 166607 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| 90663286 | 106138 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 828 | 25 | 11 | 11 | -1.2 | CC[C@H](C)[C@H](NC(C#N)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | ||
| CHEMBL3143244 | 106138 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 828 | 25 | 11 | 11 | -1.2 | CC[C@H](C)[C@H](NC(C#N)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | ||
| 44572618 | 188384 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL508507 | 188384 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| 25078013 | 212295 | 11 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00018-4 | ||||
| CHEMBL48981 | 212295 | 11 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00018-4 | ||||
| 145989754 | 166546 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4290088 | 166546 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 685 | 11 | 8 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@H]1CC=CC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL344337 | 209948 | 0 | None | -14 | 2 | 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](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| CHEMBL424896 | 211568 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1CCN(C(=N)N)CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| 44572616 | 188186 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | 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)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL505695 | 188186 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | 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)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||
| 44413847 | 136674 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| CHEMBL375002 | 136674 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1046 | 35 | 16 | 15 | -4.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(C)(C)C)C(=O)O | 10.1021/jm060415g | ||
| CHEMBL405804 | 210825 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | COC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(C)(C)C | 10.1021/jm030081k | ||||
| CHEMBL2369629 | 207889 | 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]1CCCN1C(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL2370477 | 208097 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL266571 | 208934 | 2 | None | -2041 | 2 | Human | 6.6 | pIC50 | = | 6.6 | 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](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||||
| CHEMBL3622805 | 210127 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | 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 | ||||
| 145966776 | 163873 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| CHEMBL4213725 | 163873 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| 44572619 | 171642 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL447400 | 171642 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL141910 | 207014 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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](CCCNCCN1CCNCC1)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | ||||
| CHEMBL501956 | 212366 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@](C)(N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 145990573 | 166253 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 658 | 12 | 7 | 9 | 0.1 | CC(C)C[C@H](NC(=O)[C@@H]1COCC=CCc2cc(ccc2O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4284772 | 166253 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 658 | 12 | 7 | 9 | 0.1 | CC(C)C[C@H](NC(=O)[C@@H]1COCC=CCc2cc(ccc2O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)C(=O)N1)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| 1580 | 3595 | 39 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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/acs.jmedchem.5b01495 | ||
| 5311451 | 3595 | 39 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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/acs.jmedchem.5b01495 | ||
| CHEMBL3040381 | 3595 | 39 | None | 1 | 4 | Human | 8.5 | pIC50 | = | 8.5 | 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/acs.jmedchem.5b01495 | ||
| 122197318 | 132924 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1903 | 35 | 23 | 23 | 7.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)NC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||
| CHEMBL3706653 | 132924 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1903 | 35 | 23 | 23 | 7.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)NC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm030081k | ||
| CHEMBL141872 | 207013 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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](CCCNCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | ||||
| 44572622 | 172118 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | 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)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL450258 | 172118 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | 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)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 1580 | 3595 | 39 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | 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/acs.jmedchem.9b00340 | ||
| 5311451 | 3595 | 39 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | 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/acs.jmedchem.9b00340 | ||
| CHEMBL3040381 | 3595 | 39 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | 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/acs.jmedchem.9b00340 | ||
| 145989745 | 166521 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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/acsmedchemlett.7b00500 | ||
| CHEMBL4289739 | 166521 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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/acsmedchemlett.7b00500 | ||
| CHEMBL445035 | 212179 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| CHEMBL413010 | 211284 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C(=O)N[C@@H](CC1CCCC1)C(=O)O | 10.1021/jm030081k | ||||
| 9888496 | 140509 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 422 | 7 | 2 | 5 | 2.9 | Cc1ccc(S(=O)(=O)NCCNC2(c3ccccc3)OC(=O)c3ccccc32)cc1 | 10.1016/S0960-894X(00)80423-0 | ||
| CHEMBL38243 | 140509 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 422 | 7 | 2 | 5 | 2.9 | Cc1ccc(S(=O)(=O)NCCNC2(c3ccccc3)OC(=O)c3ccccc32)cc1 | 10.1016/S0960-894X(00)80423-0 | ||
| CHEMBL1793839 | 207174 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 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](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | ||||
| 127034293 | 138659 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | 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](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787095 | 138659 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | 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](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787708 | 138659 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | 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](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| 11657884 | 115686 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 115686 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
| 1580 | 3595 | 39 | None | 1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | 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/ml400176n | ||
| 5311451 | 3595 | 39 | None | 1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | 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/ml400176n | ||
| CHEMBL3040381 | 3595 | 39 | None | 1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | 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/ml400176n | ||
| CHEMBL2370480 | 208100 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C1CCNCC1)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL413192 | 211296 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC1CCN(C(=N)N)CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)(C)C)C(=O)O | 10.1021/jm030081k | ||||
| CHEMBL501575 | 212358 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | 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@@](C)(N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 155567371 | 175378 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2295 | 66 | 31 | 36 | -10.9 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C2OC2C(=O)O)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/j.ejmech.2019.05.068 | ||
| CHEMBL4588311 | 175378 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2295 | 66 | 31 | 36 | -10.9 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)C2OC2C(=O)O)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/j.ejmech.2019.05.068 | ||
| 9888496 | 140509 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 7 | 2 | 5 | 2.9 | Cc1ccc(S(=O)(=O)NCCNC2(c3ccccc3)OC(=O)c3ccccc32)cc1 | 10.1016/S0960-894X(00)80423-0 | ||
| CHEMBL38243 | 140509 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 7 | 2 | 5 | 2.9 | Cc1ccc(S(=O)(=O)NCCNC2(c3ccccc3)OC(=O)c3ccccc32)cc1 | 10.1016/S0960-894X(00)80423-0 | ||
| 155544586 | 172813 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2281 | 67 | 31 | 35 | -9.9 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/j.ejmech.2019.05.068 | ||
| CHEMBL4528094 | 172813 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 2281 | 67 | 31 | 35 | -9.9 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/j.ejmech.2019.05.068 | ||
| 56664871 | 62977 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 803 | 25 | 11 | 10 | -1.1 | CC[C@@H](C)[C@@H](NC[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | ||
| CHEMBL1793838 | 62977 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 803 | 25 | 11 | 10 | -1.1 | CC[C@@H](C)[C@@H](NC[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm00006a021 | ||
| 44572620 | 173276 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | 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[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL453924 | 173276 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | 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[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 46890552 | 7290 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1711 | 55 | 22 | 24 | -3.2 | CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=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](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O | 10.1016/j.bmcl.2010.04.038 | ||
| CHEMBL1086461 | 7290 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1711 | 55 | 22 | 24 | -3.2 | CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=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](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O | 10.1016/j.bmcl.2010.04.038 | ||
| 145991532 | 166338 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 741 | 15 | 8 | 9 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL4286324 | 166338 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 741 | 15 | 8 | 9 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.7b00500 | ||
| CHEMBL2371276 | 208277 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O | 10.1021/jm00006a021 | ||||
| CHEMBL139727 | 207007 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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](CCCNCCNCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | ||||
| 56675175 | 62976 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 837 | 25 | 11 | 10 | -0.9 | CC[C@@H](C)[C@H](CN[C@@H](Cc1ccccc1)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N | 10.1021/jm00006a021 | ||
| CHEMBL1793837 | 62976 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 837 | 25 | 11 | 10 | -0.9 | CC[C@@H](C)[C@H](CN[C@@H](Cc1ccccc1)C(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N | 10.1021/jm00006a021 | ||
| 119192 | 2436 | 48 | None | 3 | 9 | Rat | 7.1 | pIC50 | = | 7.1 | 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/acs.jmedchem.9b00340 | ||
| 1582 | 2436 | 48 | None | 3 | 9 | Rat | 7.1 | pIC50 | = | 7.1 | 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/acs.jmedchem.9b00340 | ||
| CHEMBL506981 | 2436 | 48 | None | 3 | 9 | Rat | 7.1 | pIC50 | = | 7.1 | 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/acs.jmedchem.9b00340 | ||
| DB06455 | 2436 | 48 | None | 3 | 9 | Rat | 7.1 | pIC50 | = | 7.1 | 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/acs.jmedchem.9b00340 | ||
| 46890553 | 7291 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1791 | 57 | 23 | 25 | -3.1 | CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=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](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)OP(=O)(O)O | 10.1016/j.bmcl.2010.04.038 | ||
| CHEMBL1086463 | 7291 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 1791 | 57 | 23 | 25 | -3.1 | CSCC[C@H](NC(=O)CCCCn1cc(CCCC(=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](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)nn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)OP(=O)(O)O | 10.1016/j.bmcl.2010.04.038 | ||
| 44572627 | 187691 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL500173 | 187691 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL500734 | 212342 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||||
| CHEMBL344020 | 209947 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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](CCCNCCCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/s0960-894x(00)00018-4 | ||||
| CHEMBL3143232 | 209384 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | 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](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)C[C@H](Cc1ccccc1)C(=O)O | 10.1021/jm00006a021 | ||||
| CHEMBL3622801 | 210123 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||||
| CHEMBL3622804 | 210126 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | 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 | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.8 | pKd | = | 9.8 | 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](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | ||||
| 127032412 | 138657 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.4 | pKd | = | 9.4 | 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 | ||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.3 | pKd | = | 9.3 | 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 | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.3 | pKd | = | 9.3 | 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 | 10.1016/j.bmc.2008.08.051 | ||||
| 127032412 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKd | = | 9.3 | 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 | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm401491e | ||||
| 127032412 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKd | = | 9.2 | 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 | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.2 | pKd | = | 9.2 | 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 | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.2 | pKd | = | 9.2 | 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 | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.2 | pKd | = | 9.2 | 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 | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.1 | pKd | = | 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](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.1 | pKd | = | 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](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL405584 | 210810 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049644y | ||||
| CHEMBL508567 | 213197 | 2 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2cc[nH]c12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801481y | ||||
| CHEMBL405584 | 210810 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm049644y | ||||
| 155547078 | 175952 | 0 | None | -3 | 2 | Human | 8.0 | pKd | = | 8.0 | 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 | 175952 | 0 | None | -3 | 2 | Human | 8.0 | pKd | = | 8.0 | 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 | 175952 | 0 | None | -3 | 2 | Human | 8.0 | pKd | = | 8.0 | 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 | ||
| 127030965 | 138660 | 0 | None | -5 | 2 | Human | 7.8 | pKd | = | 7.8 | 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 | 138660 | 0 | None | -5 | 2 | Human | 7.8 | pKd | = | 7.8 | 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 | 138660 | 0 | None | -5 | 2 | Human | 7.8 | pKd | = | 7.8 | 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 | 138660 | 0 | None | -5 | 2 | Human | 7.8 | pKd | = | 7.8 | 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 | ||
| CHEMBL270332 | 209051 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/jm801481y | ||||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 7.7 | pKd | = | 7.7 | 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.2008.08.051 | ||
| 1582 | 2436 | 48 | None | -3 | 9 | Human | 7.7 | pKd | = | 7.7 | 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.2008.08.051 | ||
| CHEMBL506981 | 2436 | 48 | None | -3 | 9 | Human | 7.7 | pKd | = | 7.7 | 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.2008.08.051 | ||
| DB06455 | 2436 | 48 | None | -3 | 9 | Human | 7.7 | pKd | = | 7.7 | 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.2008.08.051 | ||
| 155547078 | 175952 | 0 | None | -3 | 2 | Human | 8.6 | pKd | = | 8.6 | 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 | 175952 | 0 | None | -3 | 2 | Human | 8.6 | pKd | = | 8.6 | 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 | 175952 | 0 | None | -3 | 2 | Human | 8.6 | pKd | = | 8.6 | 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 | ||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | 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.2008.08.051 | ||
| 1582 | 2436 | 48 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | 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.2008.08.051 | ||
| CHEMBL506981 | 2436 | 48 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | 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.2008.08.051 | ||
| DB06455 | 2436 | 48 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | 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.2008.08.051 | ||
| 155569717 | 175655 | 0 | None | -1 | 2 | Human | 7.6 | pKd | = | 7.6 | 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 | 175655 | 0 | None | -1 | 2 | Human | 7.6 | pKd | = | 7.6 | 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 | 175655 | 0 | None | -1 | 2 | Human | 7.6 | pKd | = | 7.6 | 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 | ||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | 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.2008.08.051 | ||
| 1582 | 2436 | 48 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | 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.2008.08.051 | ||
| CHEMBL506981 | 2436 | 48 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | 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.2008.08.051 | ||
| DB06455 | 2436 | 48 | None | -3 | 9 | Human | 7.6 | pKd | = | 7.6 | 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.2008.08.051 | ||
| 127030965 | 138660 | 0 | None | -5 | 2 | Human | 8.4 | pKd | = | 8.4 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.4 | pKd | = | 8.4 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.4 | pKd | = | 8.4 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.4 | pKd | = | 8.4 | 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 | ||
| 155569737 | 176051 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 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 | ||
| 155569737 | 176051 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.4 | pKd | = | 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 | ||
| 10010720 | 11024 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 835 | 27 | 10 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | ||
| CHEMBL1178333 | 11024 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 835 | 27 | 10 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | ||
| CHEMBL21448 | 11024 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 835 | 27 | 10 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | ||
| 10033913 | 11025 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 750 | 25 | 8 | 8 | 4.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN)cccc2c1CCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | ||
| CHEMBL1178334 | 11025 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 750 | 25 | 8 | 8 | 4.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN)cccc2c1CCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | ||
| CHEMBL21521 | 11025 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 750 | 25 | 8 | 8 | 4.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN)cccc2c1CCCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | ||
| 44274487 | 11029 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 858 | 27 | 10 | 7 | 4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | ||
| CHEMBL1178343 | 11029 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 858 | 27 | 10 | 7 | 4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | ||
| CHEMBL21892 | 11029 | 0 | None | - | 1 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 858 | 27 | 10 | 7 | 4.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)80338-3 | ||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 7.5 | pKd | = | 7.5 | 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.2008.08.051 | ||
| 1582 | 2436 | 48 | None | -3 | 9 | Human | 7.5 | pKd | = | 7.5 | 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.2008.08.051 | ||
| CHEMBL506981 | 2436 | 48 | None | -3 | 9 | Human | 7.5 | pKd | = | 7.5 | 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.2008.08.051 | ||
| DB06455 | 2436 | 48 | None | -3 | 9 | Human | 7.5 | pKd | = | 7.5 | 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.2008.08.051 | ||
| 155569737 | 176051 | 0 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | 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 | ||
| 155569717 | 175655 | 0 | None | -1 | 2 | Human | 8.2 | pKd | = | 8.2 | 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 | 175655 | 0 | None | -1 | 2 | Human | 8.2 | pKd | = | 8.2 | 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 | 175655 | 0 | None | -1 | 2 | Human | 8.2 | pKd | = | 8.2 | 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 | ||
| 127030965 | 138660 | 0 | None | -5 | 2 | Human | 8.1 | pKd | = | 8.1 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.1 | pKd | = | 8.1 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.1 | pKd | = | 8.1 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.1 | pKd | = | 8.1 | 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 | ||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | 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.2008.08.051 | ||
| 1582 | 2436 | 48 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | 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.2008.08.051 | ||
| CHEMBL506981 | 2436 | 48 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | 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.2008.08.051 | ||
| DB06455 | 2436 | 48 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | 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.2008.08.051 | ||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | 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.2008.08.051 | ||
| 1582 | 2436 | 48 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | 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.2008.08.051 | ||
| CHEMBL506981 | 2436 | 48 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | 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.2008.08.051 | ||
| DB06455 | 2436 | 48 | None | -3 | 9 | Human | 8.1 | pKd | = | 8.1 | 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.2008.08.051 | ||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 8.0 | pKd | = | 8.0 | 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.2008.08.051 | ||
| 1582 | 2436 | 48 | None | -3 | 9 | Human | 8.0 | pKd | = | 8.0 | 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.2008.08.051 | ||
| CHEMBL506981 | 2436 | 48 | None | -3 | 9 | Human | 8.0 | pKd | = | 8.0 | 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.2008.08.051 | ||
| DB06455 | 2436 | 48 | None | -3 | 9 | Human | 8.0 | pKd | = | 8.0 | 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.2008.08.051 | ||
| CHEMBL405151 | 210788 | 0 | None | - | 1 | Mouse | 10.9 | pKi | = | 10.9 | 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](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(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| CHEMBL342252 | 209917 | 0 | None | 4 | 4 | Mouse | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmcl.2008.01.110 | ||||
| CHEMBL342252 | 209917 | 0 | None | 4 | 4 | Mouse | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| CHEMBL264534 | 208871 | 0 | None | - | 1 | Mouse | 10.6 | pKi | = | 10.6 | 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](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| CHEMBL427604 | 211596 | 0 | None | - | 1 | Mouse | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||||
| CHEMBL266571 | 208934 | 2 | None | 2041 | 2 | Mouse | 10.2 | pKi | = | 10.2 | 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](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1016/0960-894X(95)00155-M | ||||
| 44264095 | 201928 | 0 | None | - | 1 | Mouse | 10.0 | pKi | = | 10 | Binding | ChEMBL | 767 | 20 | 9 | 7 | 1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCN=C(N)N)CCCN=C(N)N)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||
| CHEMBL6716 | 201928 | 0 | None | - | 1 | Mouse | 10.0 | pKi | = | 10 | Binding | ChEMBL | 767 | 20 | 9 | 7 | 1.1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCN=C(N)N)CCCN=C(N)N)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||
| CHEMBL174771 | 207104 | 0 | None | - | 1 | Mouse | 10.0 | pKi | = | 10 | 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](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| CHEMBL412980 | 211279 | 0 | None | - | 1 | Mouse | 10.0 | pKi | = | 10.0 | 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](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(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| CHEMBL441754 | 212137 | 0 | None | - | 1 | Mouse | 9.9 | pKi | = | 9.9 | 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](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(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL344337 | 209948 | 0 | None | 14 | 2 | Mouse | 9.9 | pKi | = | 9.9 | 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](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.9 | pKi | = | 9.9 | 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/jm801072v | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | ||||
| CHEMBL1793865 | 207176 | 0 | None | - | 1 | Mouse | 9.8 | pKi | = | 9.8 | 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[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||||
| 1574 | 2759 | 17 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | ||||
| 1579 | 2759 | 17 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | ||||
| 25077406 | 2759 | 17 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | ||||
| 3830 | 2759 | 17 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | ||||
| CHEMBL407196 | 2759 | 17 | None | 3 | 6 | Mouse | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | ||||
| CHEMBL413433 | 211310 | 0 | None | - | 1 | Mouse | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[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(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| 155569028 | 175991 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.8 | 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)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL4593174 | 175991 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.8 | 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)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL4597456 | 175991 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 831 | 25 | 13 | 10 | -0.8 | 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)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||
| 54582126 | 60945 | 0 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | 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[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| CHEMBL1766935 | 60945 | 0 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | 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[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00388 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00388 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00388 | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL1766928 | 207112 | 0 | None | 5 | 2 | Human | 9.6 | pKi | = | 9.6 | 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 | ||||
| CHEMBL366912 | 210400 | 0 | None | - | 1 | Mouse | 9.6 | pKi | = | 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](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| 127033024 | 138656 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | 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)NCCOCCOCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3786779 | 138656 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | 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)NCCOCCOCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787705 | 138656 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | 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)NCCOCCOCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.6 | pKi | = | 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](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | ||||
| 155544004 | 172730 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1672 | 50 | 23 | 21 | -3.4 | 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)C1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL4526200 | 172730 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1672 | 50 | 23 | 21 | -3.4 | 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)C1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL468951 | 212260 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | 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](CCCNC(=N)N)NC)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| CHEMBL443967 | 212169 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | 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)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||||
| CHEMBL4528687 | 212169 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | 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)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.5 | pKi | = | 9.5 | 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/jm401491e | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00122 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00122 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00122 | ||||
| 127031851 | 138661 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N\C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3785233 | 138661 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N\C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787710 | 138661 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 991 | 32 | 14 | 13 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN/C(N)=N\C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL6508 | 214072 | 0 | None | - | 1 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||||
| 127031284 | 138658 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=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 | ||
| CHEMBL3787200 | 138658 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=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 | ||
| CHEMBL3787707 | 138658 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=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 | ||
| 127032102 | 138655 | 0 | None | 1 | 2 | Human | 9.3 | pKi | = | 9.3 | 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 | 138655 | 0 | None | 1 | 2 | Human | 9.3 | pKi | = | 9.3 | 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 | 138655 | 0 | None | 1 | 2 | Human | 9.3 | pKi | = | 9.3 | 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 | ||
| 127032412 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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 | ||
| 127032412 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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/acsmedchemlett.9b00462 | ||
| CHEMBL3785364 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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/acsmedchemlett.9b00462 | ||
| CHEMBL3786291 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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/acsmedchemlett.9b00462 | ||
| CHEMBL3787706 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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/acsmedchemlett.9b00462 | ||
| CHEMBL4579623 | 138657 | 0 | None | 4 | 2 | Human | 9.3 | pKi | = | 9.3 | 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/acsmedchemlett.9b00462 | ||
| CHEMBL443967 | 212169 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | 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)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL4528687 | 212169 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | 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)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL342252 | 209917 | 0 | None | 4 | 4 | Mouse | 9.3 | pKi | = | 9.3 | 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 | 10.1016/0960-894X(95)00155-M | ||||
| 127033029 | 138662 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)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 | ||
| CHEMBL3786771 | 138662 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)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 | ||
| CHEMBL3787711 | 138662 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)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 | ||
| CHEMBL1766929 | 207113 | 1 | None | 8 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | ||||
| 127032412 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | 138657 | 0 | None | 4 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | ||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.2 | pKi | = | 9.2 | 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 | 10.1016/j.bmc.2008.08.051 | ||||
| 127032102 | 138655 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | 138655 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | 138655 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | 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 | ||
| CHEMBL504768 | 212403 | 0 | None | - | 1 | 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](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 155529795 | 175758 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | 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)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4463399 | 175758 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | 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)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4595550 | 175758 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | 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)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 142489081 | 176067 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 831 | 23 | 13 | 10 | -0.8 | CN[C@@H](CCCNC(=N)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(C)(C)C | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL4567709 | 176067 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 831 | 23 | 13 | 10 | -0.8 | CN[C@@H](CCCNC(=N)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(C)(C)C | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL4598051 | 176067 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 831 | 23 | 13 | 10 | -0.8 | CN[C@@H](CCCNC(=N)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(C)(C)C | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL425847 | 211583 | 0 | None | - | 1 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| 72737612 | 103102 | 0 | None | 70 | 2 | Human | 9.0 | pKi | = | 9.0 | 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 | 103102 | 0 | None | 70 | 2 | Human | 9.0 | pKi | = | 9.0 | 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 | ||
| 155552815 | 175835 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 873 | 26 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)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/acsmedchemlett.9b00122 | ||
| CHEMBL4544373 | 175835 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 873 | 26 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)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/acsmedchemlett.9b00122 | ||
| CHEMBL4596137 | 175835 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 873 | 26 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)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/acsmedchemlett.9b00122 | ||
| 1580 | 3595 | 39 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | 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 | 3595 | 39 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | 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 | 3595 | 39 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | 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 | ||
| CHEMBL342252 | 209917 | 0 | None | -4 | 4 | Human | 9.0 | pKi | = | 9.0 | 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/jm801072v | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b01848 | ||||
| 1574 | 2759 | 17 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 1579 | 2759 | 17 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 25077406 | 2759 | 17 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 3830 | 2759 | 17 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| CHEMBL407196 | 2759 | 17 | None | -3 | 6 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500857r | ||||
| 1580 | 3595 | 39 | None | 1 | 4 | Human | 9.0 | pKi | = | 9.0 | 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/acs.jmedchem.5b01495 | ||
| 5311451 | 3595 | 39 | None | 1 | 4 | Human | 9.0 | pKi | = | 9.0 | 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/acs.jmedchem.5b01495 | ||
| CHEMBL3040381 | 3595 | 39 | None | 1 | 4 | Human | 9.0 | pKi | = | 9.0 | 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/acs.jmedchem.5b01495 | ||
| CHEMBL269601 | 209045 | 0 | None | - | 1 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||||
| 155522777 | 175949 | 0 | None | -4 | 2 | Human | 8.9 | pKi | = | 8.9 | 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/acsmedchemlett.9b00122 | ||
| CHEMBL4452276 | 175949 | 0 | None | -4 | 2 | Human | 8.9 | pKi | = | 8.9 | 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/acsmedchemlett.9b00122 | ||
| CHEMBL4597094 | 175949 | 0 | None | -4 | 2 | Human | 8.9 | pKi | = | 8.9 | 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/acsmedchemlett.9b00122 | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acsmedchemlett.9b00462 | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2022.116720 | ||||
| 155529795 | 175758 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | 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)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4463399 | 175758 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | 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)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4595550 | 175758 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1253 | 37 | 14 | 14 | 2.7 | 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)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00175 | ||||
| 155569737 | 176051 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | 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 | ||
| 155569737 | 176051 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | 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 | 176051 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | 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 | ||
| 1580 | 3595 | 39 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | 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 | 3595 | 39 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | 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 | 3595 | 39 | None | -1 | 4 | Rat | 8.9 | pKi | = | 8.9 | 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 | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | ||||
| 155569717 | 175655 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | 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 | 175655 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | 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 | 175655 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | 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 | ||
| 155551504 | 175946 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 831 | 22 | 12 | 10 | -0.8 | 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)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL4541665 | 175946 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 831 | 22 | 12 | 10 | -0.8 | 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)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL4597084 | 175946 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 831 | 22 | 12 | 10 | -0.8 | 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)N(C)C(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL254769 | 208756 | 0 | None | -2 | 2 | Human | 8.8 | pKi | = | 8.8 | 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)CNCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm801072v | ||||
| 1574 | 2759 | 17 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 1579 | 2759 | 17 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 25077406 | 2759 | 17 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 3830 | 2759 | 17 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| CHEMBL407196 | 2759 | 17 | None | -3 | 6 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2014.11.047 | ||||
| 127034293 | 138659 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | 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](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787095 | 138659 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | 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](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| CHEMBL3787708 | 138659 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1427 | 41 | 14 | 17 | 2.5 | 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](N)CCCN/C(N)=N/C(=O)NCCCCNC(=O)CCCCC[n+]1cc(S(=O)(=O)[O-])ccc1/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.5b01495 | ||
| 127033029 | 138662 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)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 | ||
| CHEMBL3786771 | 138662 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)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 | ||
| CHEMBL3787711 | 138662 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1047 | 34 | 14 | 13 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)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 | 181881 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | 181881 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| CHEMBL344337 | 209948 | 0 | None | -14 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 155569717 | 175655 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | 175655 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | 175655 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| CHEMBL367552 | 210402 | 0 | None | - | 1 | Mouse | 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](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O | 10.1016/S0960-894X(00)80698-8 | ||||
| 44572621 | 187660 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | 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[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL499673 | 187660 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | 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[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 56672657 | 62851 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 736 | 20 | 7 | 8 | 2.5 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790460 | 62851 | 0 | None | - | 1 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 736 | 20 | 7 | 8 | 2.5 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL172313 | 207099 | 0 | None | -22 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 73354481 | 88913 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 768 | 21 | 7 | 8 | 3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC1CC2CCC1C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL2369588 | 88913 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 768 | 21 | 7 | 8 | 3.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC1CC2CCC1C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1766943 | 207122 | 0 | None | -100 | 2 | Human | 5.0 | pKi | = | 5 | 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 | ||||
| 49837912 | 103801 | 3 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL3099773 | 103801 | 3 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1nc(C(=O)N[C@@H](CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 118729839 | 117428 | 0 | None | -79 | 2 | Rat | 5.0 | pKi | = | 5.0 | 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 | 117428 | 0 | None | -79 | 2 | Rat | 5.0 | pKi | = | 5.0 | 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 | ||
| CHEMBL508380 | 213101 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| CHEMBL1766924 | 207108 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL171907 | 207096 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7.0 | 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](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| CHEMBL1766927 | 207111 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 10463024 | 89034 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 20 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||
| CHEMBL2372106 | 89034 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 20 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||
| 11285912 | 123146 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | ||
| CHEMBL362127 | 123146 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | ||
| 10463024 | 89034 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 20 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL2372106 | 89034 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 794 | 20 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL367873 | 210403 | 0 | None | - | 1 | Mouse | 4.9 | pKi | = | 4.9 | 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](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(N)=O | 10.1016/S0960-894X(00)80698-8 | ||||
| 90644394 | 111642 | 0 | None | -10 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL3290101 | 111642 | 0 | None | -10 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 5.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 | 10.1016/j.bmcl.2015.03.083 | ||
| 56664793 | 62990 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 712 | 18 | 7 | 8 | 5.1 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| CHEMBL1794003 | 62990 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 712 | 18 | 7 | 8 | 5.1 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| CHEMBL1766926 | 207110 | 0 | None | -15 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL1766934 | 207118 | 1 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | 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 | ||||
| CHEMBL1766933 | 207117 | 0 | None | -18 | 2 | Human | 4.9 | pKi | = | 4.9 | 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 | ||||
| 44572618 | 188384 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL508507 | 188384 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 845 | 24 | 11 | 10 | 0.3 | CC(=O)N[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL2310906 | 207744 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)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/jm049644y | ||||
| 44396911 | 66589 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | ||
| CHEMBL186638 | 66589 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | ||
| 145974670 | 164075 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| CHEMBL4216311 | 164075 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 799 | 13 | 9 | 10 | 1.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCC[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.8b00175 | ||
| 168269036 | 189411 | 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 | 189411 | 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 | ||
| 145966676 | 163685 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| CHEMBL4211344 | 163685 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 784 | 13 | 9 | 10 | 0.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCC[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.8b00175 | ||
| 145975635 | 163223 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| CHEMBL4205887 | 163223 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 826 | 13 | 8 | 9 | 3.3 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(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.8b00175 | ||
| 145978385 | 163369 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 812 | 23 | 8 | 10 | 1.9 | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)(C)C | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4207506 | 163369 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 812 | 23 | 8 | 10 | 1.9 | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)(C)C | 10.1021/acs.jmedchem.8b00175 | ||
| 10440472 | 179526 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 823 | 15 | 11 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4748559 | 179526 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 823 | 15 | 11 | 9 | -0.2 | CC(C)C[C@H](NC(=O)[C@@H]1CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4436458 | 212380 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=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 | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL503059 | 212380 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=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 | 10.1016/j.bmc.2008.08.051 | ||||
| 44265474 | 97987 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 824 | 23 | 8 | 10 | 2.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NNCC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||
| CHEMBL275752 | 97987 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 824 | 23 | 8 | 10 | 2.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NNCC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||
| 162660488 | 180773 | 0 | None | -10 | 2 | Human | 6.8 | pKi | = | 6.8 | 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 | 180773 | 0 | None | -10 | 2 | Human | 6.8 | pKi | = | 6.8 | 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 | ||
| CHEMBL267748 | 208974 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N/C=C/C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||||
| 44264255 | 165989 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 683 | 18 | 7 | 7 | 2.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCN)CCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||
| CHEMBL427956 | 165989 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 683 | 18 | 7 | 7 | 2.4 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCN)CCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||
| CHEMBL411195 | 211112 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN(CCCCN)C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| CHEMBL267459 | 208966 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCN=C(N)N)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||||
| 11228237 | 167735 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | ||
| CHEMBL434134 | 167735 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 843 | 23 | 10 | 10 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm049644y | ||
| CHEMBL267714 | 208973 | 0 | None | -17 | 2 | Human | 6.8 | pKi | = | 6.8 | 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 | ||||
| 90644389 | 111637 | 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 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL3290096 | 111637 | 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 | 10.1016/j.bmcl.2015.03.083 | ||
| 155560504 | 175834 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 873 | 24 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)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(C)(C)C | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL4567672 | 175834 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 873 | 24 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)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(C)(C)C | 10.1021/acsmedchemlett.9b00122 | ||
| CHEMBL4596126 | 175834 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 873 | 24 | 13 | 10 | -0.5 | CCC(=O)N[C@@H](CCCNC(=N)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(C)(C)C | 10.1021/acsmedchemlett.9b00122 | ||
| 56669202 | 62853 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 780 | 19 | 7 | 8 | 3.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790463 | 62853 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 780 | 19 | 7 | 8 | 3.0 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL266571 | 208934 | 2 | None | -2041 | 2 | Human | 6.8 | pKi | = | 6.8 | 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](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||||
| 56658940 | 62858 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 716 | 19 | 7 | 8 | 2.2 | 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(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790472 | 62858 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 716 | 19 | 7 | 8 | 2.2 | 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(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| 10056201 | 162958 | 8 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 809 | 15 | 11 | 9 | -0.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4202627 | 162958 | 8 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 809 | 15 | 11 | 9 | -0.6 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4528239 | 212958 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL508130 | 212958 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)O | 10.1016/j.bmc.2008.08.051 | ||||
| 145976898 | 163269 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4206391 | 163269 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 841 | 29 | 9 | 10 | 2.2 | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b00175 | ||
| 162677029 | 182912 | 0 | None | 4 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | 182912 | 0 | None | 4 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| 1580 | 3595 | 39 | None | -1 | 4 | Rat | 8.7 | pKi | = | 8.7 | 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 | 3595 | 39 | None | -1 | 4 | Rat | 8.7 | pKi | = | 8.7 | 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 | 3595 | 39 | None | -1 | 4 | Rat | 8.7 | pKi | = | 8.7 | 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 | ||
| 44572616 | 188186 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | 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)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL505695 | 188186 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 801 | 24 | 12 | 9 | -0.0 | 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)CCCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL172473 | 207100 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| 155547078 | 175952 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | 175952 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | 175952 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | 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 | ||
| 162651256 | 179744 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | 179744 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 162674076 | 182493 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | 182493 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 44578945 | 188296 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 881 | 22 | 13 | 10 | -0.3 | 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)NC1(C(=O)O)C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2008.08.051 | ||
| CHEMBL507382 | 188296 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 881 | 22 | 13 | 10 | -0.3 | 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)NC1(C(=O)O)C2CC3CC(C2)CC1C3 | 10.1016/j.bmc.2008.08.051 | ||
| 168274909 | 189645 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | 189645 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 155547078 | 175952 | 0 | None | -3 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | 175952 | 0 | None | -3 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | 175952 | 0 | None | -3 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 155569726 | 175640 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | 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)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)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4584647 | 175640 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | 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)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)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4594647 | 175640 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | 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)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)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 119192 | 2436 | 48 | None | 3 | 9 | Rat | 8.6 | pKi | = | 8.6 | 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 | 2436 | 48 | None | 3 | 9 | Rat | 8.6 | pKi | = | 8.6 | 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 | 2436 | 48 | None | 3 | 9 | Rat | 8.6 | pKi | = | 8.6 | 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 | 2436 | 48 | None | 3 | 9 | Rat | 8.6 | pKi | = | 8.6 | 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 | ||
| 155569719 | 175788 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | 175788 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | 175788 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| CHEMBL258221 | 208761 | 13 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| 162674795 | 182865 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | 182865 | 0 | None | 3 | 2 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 162655533 | 180189 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | 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 | 180189 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
| 44572622 | 172118 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | 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)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL450258 | 172118 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 787 | 23 | 10 | 9 | 1.2 | 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)CCCCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 44572619 | 171642 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL447400 | 171642 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 817 | 24 | 11 | 10 | 0.4 | CN[C@@H](CCCCN)CC(=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(C)(C)C | 10.1021/jm801072v | ||
| CHEMBL174438 | 207103 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| 162658930 | 180433 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | 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 | 180433 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | 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 | ||
| CHEMBL253527 | 208755 | 0 | None | -12 | 2 | Human | 6.7 | pKi | = | 6.7 | 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 | ||||
| 56658939 | 62857 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1028 | 25 | 7 | 8 | 5.5 | 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(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790469 | 62857 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1028 | 25 | 7 | 8 | 5.5 | 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(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790473 | 207138 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||||
| CHEMBL501956 | 212366 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@](C)(N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 56662311 | 62856 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 792 | 20 | 7 | 8 | 3.8 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790467 | 62856 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 792 | 20 | 7 | 8 | 3.8 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1766931 | 207115 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[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 | ||||
| 56681744 | 62988 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 730 | 18 | 7 | 8 | 5.2 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1F)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| CHEMBL1794000 | 62988 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 730 | 18 | 7 | 8 | 5.2 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1F)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| 54585990 | 60948 | 0 | None | -46 | 2 | Human | 6.6 | pKi | = | 6.6 | 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 | 60948 | 0 | None | -46 | 2 | Human | 6.6 | pKi | = | 6.6 | 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 | ||
| CHEMBL1766925 | 207109 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL1766942 | 207121 | 0 | None | -131 | 2 | Human | 5.6 | pKi | = | 5.6 | 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 | ||||
| CHEMBL265671 | 208904 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NCCCCCCN)C(C)(C)C | 10.1016/0960-894X(95)00155-M | ||||
| 168291832 | 191256 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | 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 | 191256 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | 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 | ||
| CHEMBL1766825 | 207106 | 0 | None | -3235 | 2 | Human | 4.6 | pKi | = | 4.6 | 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 | ||||
| 56661317 | 62989 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 711 | 19 | 7 | 8 | 4.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| CHEMBL1794002 | 62989 | 0 | None | - | 1 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 711 | 19 | 7 | 8 | 4.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| 56669201 | 62850 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 858 | 24 | 9 | 10 | 1.9 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790457 | 62850 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 858 | 24 | 9 | 10 | 1.9 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL8899 | 214111 | 0 | None | - | 1 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NNCC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c01726 | ||||
| 54582127 | 60946 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | 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 | 60946 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | 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 | ||
| 155569734 | 176110 | 0 | None | - | 1 | 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)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)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4566971 | 176110 | 0 | None | - | 1 | 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)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)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4598410 | 176110 | 0 | None | - | 1 | 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)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)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 44264252 | 201648 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 711 | 20 | 7 | 7 | 3.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCCN)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||
| CHEMBL6505 | 201648 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 711 | 20 | 7 | 7 | 3.2 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCCN)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||
| 145975472 | 163411 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 742 | 14 | 8 | 9 | 0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4207932 | 163411 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 742 | 14 | 8 | 9 | 0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c01726 | ||
| 145975472 | 163411 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 742 | 14 | 8 | 9 | 0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4207932 | 163411 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 742 | 14 | 8 | 9 | 0.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL2369509 | 207875 | 0 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | 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 | ||||
| CHEMBL254770 | 208757 | 0 | None | -30 | 2 | Human | 4.5 | pKi | = | 4.5 | 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 | ||||
| CHEMBL445035 | 212179 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 145977513 | 163002 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| CHEMBL4203162 | 163002 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 827 | 13 | 9 | 10 | 1.8 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCNCCCC[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.8b00175 | ||
| CHEMBL6562 | 214075 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C | 10.1016/0960-894X(95)00155-M | ||||
| CHEMBL1766946 | 207125 | 0 | None | -7413 | 2 | Human | 4.5 | pKi | = | 4.5 | 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 | ||||
| 90644398 | 111646 | 0 | None | -22 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| CHEMBL3290105 | 111646 | 0 | None | -22 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 467 | 7 | 2 | 6 | 4.2 | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2015.03.083 | ||
| 145967420 | 163717 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| CHEMBL4211866 | 163717 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 997 | 16 | 8 | 13 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC[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.8b00175 | ||
| CHEMBL2369509 | 207875 | 0 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | 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 | ||||
| 44157038 | 188342 | 11 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| CHEMBL508044 | 188342 | 11 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 522 | 9 | 2 | 7 | 5.0 | COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12 | 10.1016/j.bmcl.2013.11.026 | ||
| 162660690 | 180735 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 880 | 15 | 11 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4762781 | 180735 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 880 | 15 | 11 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 10463386 | 163805 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 880 | 15 | 11 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4212835 | 163805 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 880 | 15 | 11 | 10 | -1.1 | CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL1766940 | 207119 | 0 | 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](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N(CC(=O)O)CC(C)C | 10.1021/jm200006c | ||||
| 44265535 | 166896 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 853 | 26 | 9 | 12 | 2.5 | CC[C@H](C)[C@H](NNCC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1NCC(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||
| CHEMBL429903 | 166896 | 0 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 853 | 26 | 9 | 12 | 2.5 | CC[C@H](C)[C@H](NNCC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1NCC(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||
| CHEMBL173256 | 207102 | 0 | None | - | 1 | Mouse | 5.4 | pKi | = | 5.4 | 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](N)CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)O | 10.1016/S0960-894X(00)80698-8 | ||||
| 155548876 | 175714 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4538956 | 175714 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4595185 | 175714 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| 145947110 | 167057 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | 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/acs.jmedchem.5b01495 | ||
| CHEMBL4299304 | 167057 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | 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/acs.jmedchem.5b01495 | ||
| CHEMBL4301523 | 167057 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | 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/acs.jmedchem.5b01495 | ||
| 127030965 | 138660 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.4 | pKi | = | 8.4 | 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 | ||
| 155548876 | 175714 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4538956 | 175714 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4595185 | 175714 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| 155569726 | 175640 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | 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)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)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4584647 | 175640 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | 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)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)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| CHEMBL4594647 | 175640 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | 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)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)c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00462 | ||
| 44572620 | 173276 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | 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[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL453924 | 173276 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | 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[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL172313 | 207099 | 0 | None | 14 | 3 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80698-8 | ||||
| CHEMBL1766923 | 207107 | 0 | None | 12 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm200006c | ||||
| CHEMBL501575 | 212358 | 0 | None | - | 1 | 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@@](C)(N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm801072v | ||||
| 168283408 | 190287 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | 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 | 190287 | 0 | None | -3 | 2 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
| 10101832 | 179697 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 793 | 12 | 10 | 8 | 0.6 | CC(C)C[C@@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4750764 | 179697 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 793 | 12 | 10 | 8 | 0.6 | CC(C)C[C@@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL2310906 | 207744 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)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 | 10.1016/j.bmc.2008.08.051 | ||||
| 56665745 | 62855 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 737 | 20 | 7 | 9 | 1.9 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1cccnc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790466 | 62855 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 737 | 20 | 7 | 9 | 1.9 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1cccnc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| 145970755 | 164217 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4218115 | 164217 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 162646717 | 179018 | 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 | 179018 | 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 | ||
| CHEMBL268600 | 209005 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCN=C(N)N)C(C)(C)C | 10.1016/0960-894X(95)00155-M | ||||
| 101040509 | 164150 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 756 | 13 | 8 | 8 | 1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| CHEMBL4217340 | 164150 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 756 | 13 | 8 | 8 | 1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.8b00175 | ||
| 162661419 | 181295 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 756 | 13 | 8 | 8 | 1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4779035 | 181295 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 756 | 13 | 8 | 8 | 1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/acs.jmedchem.0c01726 | ||
| 137651867 | 156694 | 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 | 156694 | 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 | ||
| 44447826 | 96494 | 0 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | 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 | 96494 | 0 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
| CHEMBL1766941 | 207120 | 0 | None | -1230 | 2 | Human | 4.3 | pKi | = | 4.3 | 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 | ||||
| 168291832 | 191256 | 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 | 191256 | 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 | ||
| 168269036 | 189411 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | 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 | 189411 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
| 44572620 | 173276 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | 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[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL453924 | 173276 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 828 | 24 | 10 | 10 | 1.5 | 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[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 155511768 | 169034 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1924 | 44 | 18 | 25 | 5.4 | 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](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](C)c4ccc5c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc32)nn1)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4436580 | 169034 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1924 | 44 | 18 | 25 | 5.4 | 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](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](C)c4ccc5c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc32)nn1)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00388 | ||
| 155511768 | 169034 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1924 | 44 | 18 | 25 | 5.4 | 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](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](C)c4ccc5c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc32)nn1)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4436580 | 169034 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1924 | 44 | 18 | 25 | 5.4 | 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](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2/C(=C/C=C/C=C/C3=[N+](C)c4ccc5c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc32)nn1)C(C)(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00388 | ||
| 168274909 | 189645 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | 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 | 189645 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
| CHEMBL2310906 | 207744 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)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 | 10.1016/j.bmc.2008.08.051 | ||||
| CHEMBL1790470 | 207137 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | 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](N)CCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||||
| 73356042 | 88912 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 782 | 21 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC1CCC2CCCC21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL2369587 | 88912 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 782 | 21 | 7 | 8 | 3.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC1CCC2CCCC21)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| 44581036 | 187307 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| CHEMBL496585 | 187307 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 494 | 9 | 3 | 6 | 3.6 | CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O | 10.1016/j.bmcl.2008.09.075 | ||
| 145966776 | 163873 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| CHEMBL4213725 | 163873 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 782 | 13 | 7 | 8 | 3.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=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.8b00175 | ||
| 137646112 | 157365 | 0 | None | -21 | 2 | Human | 5.2 | pKi | = | 5.2 | 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 | 157365 | 0 | None | -21 | 2 | Human | 5.2 | pKi | = | 5.2 | 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 | ||
| 44265532 | 157896 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 824 | 23 | 8 | 10 | 2.9 | CC[C@H](C)[C@H](NNCC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||
| CHEMBL409061 | 157896 | 0 | None | - | 1 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 824 | 23 | 8 | 10 | 2.9 | CC[C@H](C)[C@H](NNCC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||
| 162667468 | 181964 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | 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 | 181964 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| CHEMBL380726 | 210516 | 0 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | 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)CCCCN)C(C)(C)C)C(=O)O | 10.1016/0960-894X(95)00155-M | ||||
| CHEMBL4436458 | 212380 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=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/acsmedchemlett.9b00122 | ||||
| CHEMBL503059 | 212380 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)N(C)C(=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/acsmedchemlett.9b00122 | ||||
| CHEMBL8857 | 214110 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | 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](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||||
| CHEMBL8857 | 214110 | 0 | None | - | 1 | Rat | 7.2 | pKi | = | 7.2 | 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](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||||
| 44572627 | 187691 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL500173 | 187691 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 796 | 22 | 10 | 8 | 1.6 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CCCCNC(=N)N)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL500734 | 212342 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||||
| 145976418 | 163323 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| CHEMBL4206981 | 163323 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 798 | 13 | 8 | 9 | 2.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCCCC(=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.8b00175 | ||
| 137660279 | 158809 | 0 | None | -9 | 2 | Human | 6.2 | pKi | = | 6.2 | 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 | 158809 | 0 | None | -9 | 2 | Human | 6.2 | pKi | = | 6.2 | 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 | ||
| 56672658 | 62852 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 730 | 20 | 7 | 8 | 2.6 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790461 | 62852 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 730 | 20 | 7 | 8 | 2.6 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| 1570 | 2087 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80282-6 | ||||
| 164415 | 2087 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80282-6 | ||||
| CHEMBL8454 | 2087 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80282-6 | ||||
| 1570 | 2087 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(01)81014-3 | ||||
| 164415 | 2087 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(01)81014-3 | ||||
| CHEMBL8454 | 2087 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(01)81014-3 | ||||
| 168283408 | 190287 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | 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 | 190287 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| 127030965 | 138660 | 0 | None | -5 | 2 | Human | 8.2 | pKi | = | 8.2 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.2 | pKi | = | 8.2 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.2 | pKi | = | 8.2 | 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 | 138660 | 0 | None | -5 | 2 | Human | 8.2 | pKi | = | 8.2 | 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 | ||
| 145947110 | 167057 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | 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/acs.jmedchem.5b01495 | ||
| CHEMBL4299304 | 167057 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | 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/acs.jmedchem.5b01495 | ||
| CHEMBL4301523 | 167057 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | 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/acs.jmedchem.5b01495 | ||
| CHEMBL1766930 | 207114 | 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(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 | ||||
| CHEMBL2310906 | 207744 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)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 | 10.1016/j.bmc.2008.08.051 | ||||
| 118729838 | 117427 | 0 | None | -51 | 2 | Rat | 5.1 | pKi | = | 5.1 | 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 | 117427 | 0 | None | -51 | 2 | Rat | 5.1 | pKi | = | 5.1 | 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 | ||
| 56675174 | 62975 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 698 | 19 | 7 | 8 | 5.6 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| CHEMBL1793833 | 62975 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 698 | 19 | 7 | 8 | 5.6 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)c1cccc(NC[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| 162653994 | 179956 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | 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 | 179956 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
| 10440473 | 182655 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 823 | 14 | 11 | 9 | -0.3 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4796388 | 182655 | 0 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 823 | 14 | 11 | 9 | -0.3 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01726 | ||
| 145964771 | 163632 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| CHEMBL4210760 | 163632 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 813 | 13 | 9 | 10 | 1.4 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCNCCCC[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.8b00175 | ||
| 44572617 | 188201 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | 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[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL505906 | 188201 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 803 | 23 | 11 | 10 | 0.2 | 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[C@@H](N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 54585023 | 60947 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | 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 | 60947 | 0 | None | 5 | 2 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| 54583075 | 60949 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | 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 | 60949 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| CHEMBL1766944 | 207123 | 0 | None | -11748 | 2 | Human | 4.1 | pKi | = | 4.1 | 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](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| CHEMBL427656 | 211603 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | 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](CCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||||
| CHEMBL427656 | 211603 | 0 | None | - | 1 | Rat | 7.1 | pKi | = | 7.1 | 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](CCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(00)80282-6 | ||||
| 10259838 | 181848 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 816 | 14 | 10 | 10 | 0.8 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC(C)(C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL4786197 | 181848 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 816 | 14 | 10 | 10 | 0.8 | CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC(C)(C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c01726 | ||
| CHEMBL1766945 | 207124 | 0 | None | -1905 | 2 | Human | 5.1 | pKi | = | 5.1 | 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)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1021/jm200006c | ||||
| 54580109 | 60950 | 0 | None | -251 | 2 | Human | 5.1 | pKi | = | 5.1 | 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 | 60950 | 0 | None | -251 | 2 | Human | 5.1 | pKi | = | 5.1 | 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 | ||
| 56658818 | 62854 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 812 | 21 | 7 | 8 | 4.2 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL1790465 | 62854 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 812 | 21 | 7 | 8 | 4.2 | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/S0960-894X(01)81014-3 | ||
| CHEMBL4528239 | 212958 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | 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](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||||
| CHEMBL508130 | 212958 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | 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](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)O | 10.1021/acsmedchemlett.9b00122 | ||||
| CHEMBL1766932 | 207116 | 0 | None | -6 | 2 | Human | 6.1 | pKi | = | 6.1 | 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](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 | ||||
| 56681743 | 62987 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 714 | 18 | 6 | 7 | 5.5 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(F)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| CHEMBL1793999 | 62987 | 0 | None | - | 1 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 714 | 18 | 6 | 7 | 5.5 | CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(F)cc1)c1cccc(NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CC(C)C)C(=O)O | 10.1016/0960-894X(95)00195-Y | ||
| 155547102 | 175668 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4533793 | 175668 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4594880 | 175668 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| 155513243 | 175817 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4438773 | 175817 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4595989 | 175817 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| 155547102 | 175668 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4533793 | 175668 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4594880 | 175668 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 940 | 26 | 14 | 11 | 0.0 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](N)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| 155513243 | 175817 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4438773 | 175817 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| CHEMBL4595989 | 175817 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 954 | 27 | 14 | 11 | 0.3 | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)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(C)(C)C | 10.1021/acsmedchemlett.9b00388 | ||
| 44572621 | 187660 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | 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[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| CHEMBL499673 | 187660 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 817 | 23 | 11 | 10 | 0.5 | 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[C@@](C)(N)CCCCN)C(C)(C)C)C(=O)O | 10.1021/jm801072v | ||
| 145972052 | 163955 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| CHEMBL4214816 | 163955 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 841 | 13 | 9 | 10 | 2.2 | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCNCCCC[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.8b00175 | ||
| CHEMBL266571 | 208934 | 2 | None | -2041 | 2 | Human | 7.0 | pKi | = | 7.0 | 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](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C | 10.1021/jm801072v | ||||
| 1574 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 1574 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | ||||
| 1579 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 1579 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | ||||
| 25077406 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 25077406 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | ||||
| 3830 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 3830 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | ||||
| CHEMBL407196 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| CHEMBL407196 | 2759 | 17 | None | -3 | 6 | Rat | 9.8 | pKd | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 7746272 | ||||
| 1574 | 2759 | 17 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 1579 | 2759 | 17 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 25077406 | 2759 | 17 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 3830 | 2759 | 17 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL407196 | 2759 | 17 | 125I-Neurotensin | 3 | 6 | Mouse | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 21830793 | 91389 | 5 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| CHEMBL2413154 | 91389 | 5 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| None | 214605 | 0 | 125I-Neurotensin | -588 | 2 | Mouse | 5.0 | pKi | = | 5 | 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 | ||
| 1570 | 2087 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 164415 | 2087 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| CHEMBL8454 | 2087 | 0 | None | - | 1 | Rat | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 1569 | 2086 | 27 | None | 2 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 5311318 | 2086 | 27 | None | 2 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| CHEMBL415788 | 2086 | 27 | None | 2 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1568 | 2083 | 0 | None | -31 | 2 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1571 | 2088 | 0 | None | -10 | 2 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1581 | 3600 | 7 | None | 12 | 2 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 7746272 | ||
| 9915499 | 3600 | 7 | None | 12 | 2 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 7746272 | ||
| CHEMBL461604 | 3600 | 7 | None | 12 | 2 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 548 | 8 | 2 | 7 | 5.5 | COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC | 7746272 | ||
| 119192 | 2436 | 48 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | 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 | 7746272 | ||
| 119192 | 2436 | 48 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | 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 | 9632698 | ||
| 1582 | 2436 | 48 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | 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 | 7746272 | ||
| 1582 | 2436 | 48 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | 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 | 9632698 | ||
| CHEMBL506981 | 2436 | 48 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | 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 | 7746272 | ||
| CHEMBL506981 | 2436 | 48 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | 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 | 9632698 | ||
| DB06455 | 2436 | 48 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | 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 | 7746272 | ||
| DB06455 | 2436 | 48 | None | 3 | 9 | Rat | 8.3 | pKi | None | 8.3 | 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 | 9632698 | ||
| 119192 | 2436 | 48 | None | -3 | 9 | Human | 8.4 | pKi | None | 8.4 | 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 | 2436 | 48 | None | -3 | 9 | Human | 8.4 | pKi | None | 8.4 | 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 | 2436 | 48 | None | -3 | 9 | Human | 8.4 | pKi | None | 8.4 | 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 | 2436 | 48 | None | -3 | 9 | Human | 8.4 | pKi | None | 8.4 | 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 | ||
| 1578 | 2720 | 0 | None | - | 1 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 9940301 | 2720 | 0 | None | - | 1 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 1572 | 2089 | 0 | None | 1 | 2 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 5311320 | 2089 | 0 | None | 1 | 2 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| 1574 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| 1579 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| 25077406 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| 3830 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| CHEMBL407196 | 2759 | 17 | None | -5 | 6 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11723247 | ||||
| 1574 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| 1574 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 1574 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | ||||
| 1579 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| 1579 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 1579 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | ||||
| 25077406 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| 25077406 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 25077406 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | ||||
| 3830 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| 3830 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 3830 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | ||||
| CHEMBL407196 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10930533 | ||||
| CHEMBL407196 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| CHEMBL407196 | 2759 | 17 | None | -3 | 6 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9632698 | ||||
| 130482 | 1505 | 0 | None | - | 1 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 1566 | 1505 | 0 | None | - | 1 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||
| 1567 | 1506 | 0 | None | - | 1 | Rat | 9.8 | pKi | None | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 12869647 | ||||