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 |
CHEMBL525577 | 215630 | 0 | None | 9 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O | 10.1016/j.bmcl.2008.09.033 | ||||
90663965 | 106759 | 0 | None | -8 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 587 | 14 | 5 | 4 | 3.2 | NC(=O)CC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm0210921 | ||
CHEMBL3144498 | 106759 | 0 | None | -8 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 587 | 14 | 5 | 4 | 3.2 | NC(=O)CC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm0210921 | ||
90663970 | 106764 | 0 | None | -15 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 553 | 14 | 5 | 4 | 2.5 | NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm0210921 | ||
CHEMBL3144503 | 106764 | 0 | None | -15 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 553 | 14 | 5 | 4 | 2.5 | NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 | 10.1021/jm0210921 | ||
CHEMBL438926 | 213788 | 19 | None | 93 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm0210921 | ||||
CHEMBL403317 | 212507 | 27 | None | -57 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O | 10.1021/jm0210921 | ||||
44300286 | 96530 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1106 | 31 | 11 | 12 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O | 10.1021/jm0210921 | ||
CHEMBL262992 | 96530 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1106 | 31 | 11 | 12 | 2.1 | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O | 10.1021/jm0210921 | ||
44358844 | 159978 | 0 | None | - | 1 | Mouse | 10.5 | pIC50 | = | 10.5 | Functional | ChEMBL | 1093 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1C[C@@H]1c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL410783 | 159978 | 0 | None | - | 1 | Mouse | 10.5 | pIC50 | = | 10.5 | Functional | ChEMBL | 1093 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1C[C@@H]1c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
9919768 | 97173 | 11 | None | - | 1 | Mouse | 10.4 | pIC50 | = | 10.4 | Functional | ChEMBL | 1081 | 28 | 11 | 11 | 1.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL268386 | 97173 | 11 | None | - | 1 | Mouse | 10.4 | pIC50 | = | 10.4 | Functional | ChEMBL | 1081 | 28 | 11 | 11 | 1.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44358844 | 159978 | 0 | None | - | 1 | Mouse | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 1093 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1C[C@@H]1c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL410783 | 159978 | 0 | None | - | 1 | Mouse | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 1093 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1C[C@@H]1c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10034153 | 161680 | 0 | None | - | 1 | Mouse | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 1103 | 26 | 11 | 11 | 2.4 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL413488 | 161680 | 0 | None | - | 1 | Mouse | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 1103 | 26 | 11 | 11 | 2.4 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10034143 | 168843 | 0 | None | - | 1 | Mouse | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 1097 | 28 | 12 | 12 | 1.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL438190 | 168843 | 0 | None | - | 1 | Mouse | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 1097 | 28 | 12 | 12 | 1.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10057031 | 141896 | 0 | None | - | 1 | Mouse | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 1107 | 26 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL386993 | 141896 | 0 | None | - | 1 | Mouse | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 1107 | 26 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44359129 | 141709 | 0 | None | - | 1 | Mouse | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 1155 | 32 | 13 | 12 | 1.4 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(C)C)C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL385805 | 141709 | 0 | None | - | 1 | Mouse | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 1155 | 32 | 13 | 12 | 1.4 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(C)C)C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44358777 | 161914 | 0 | None | - | 1 | Mouse | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 1081 | 28 | 10 | 11 | 1.5 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL415455 | 161914 | 0 | None | - | 1 | Mouse | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 1081 | 28 | 10 | 11 | 1.5 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10463866 | 168857 | 0 | None | - | 1 | Mouse | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 1082 | 27 | 12 | 12 | 0.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL438279 | 168857 | 0 | None | - | 1 | Mouse | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 1082 | 27 | 12 | 12 | 0.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10011511 | 96966 | 0 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 1149 | 28 | 11 | 11 | 2.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL266535 | 96966 | 0 | None | - | 1 | Mouse | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 1149 | 28 | 11 | 11 | 2.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
9988765 | 158935 | 0 | None | - | 1 | Mouse | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 1095 | 27 | 11 | 11 | 1.9 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL409598 | 158935 | 0 | None | - | 1 | Mouse | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 1095 | 27 | 11 | 11 | 1.9 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10396384 | 78495 | 0 | None | - | 1 | Mouse | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 1095 | 28 | 11 | 11 | 2.1 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2111952 | 78495 | 0 | None | - | 1 | Mouse | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 1095 | 28 | 11 | 11 | 2.1 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44359203 | 96493 | 0 | None | - | 1 | Mouse | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 1081 | 28 | 11 | 11 | 1.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL262756 | 96493 | 0 | None | - | 1 | Mouse | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 1081 | 28 | 11 | 11 | 1.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10034143 | 168843 | 0 | None | - | 1 | Mouse | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 1097 | 28 | 12 | 12 | 1.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL438190 | 168843 | 0 | None | - | 1 | Mouse | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 1097 | 28 | 12 | 12 | 1.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10057031 | 141896 | 0 | None | - | 1 | Mouse | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 1107 | 26 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL386993 | 141896 | 0 | None | - | 1 | Mouse | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 1107 | 26 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44359041 | 96678 | 0 | None | - | 1 | Mouse | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 1097 | 28 | 12 | 12 | 1.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL264122 | 96678 | 0 | None | - | 1 | Mouse | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 1097 | 28 | 12 | 12 | 1.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00030a002 | ||
10441206 | 78798 | 0 | None | - | 1 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 1095 | 28 | 11 | 11 | 2.1 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2112786 | 78798 | 0 | None | - | 1 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 1095 | 28 | 11 | 11 | 2.1 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10260634 | 161315 | 0 | None | - | 1 | Mouse | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 1104 | 26 | 11 | 12 | 1.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc2ccccc2cn1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL412579 | 161315 | 0 | None | - | 1 | Mouse | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 1104 | 26 | 11 | 12 | 1.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc2ccccc2cn1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
14836440 | 102136 | 0 | None | - | 1 | Mouse | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 929 | 26 | 10 | 9 | 3.0 | CCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)C)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL302612 | 102136 | 0 | None | - | 1 | Mouse | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 929 | 26 | 10 | 9 | 3.0 | CCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)C)C(C)C | 10.1021/jm00111a027 | ||
44359077 | 96962 | 0 | None | - | 1 | Mouse | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 1098 | 28 | 10 | 12 | 2.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL266516 | 96962 | 0 | None | - | 1 | Mouse | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 1098 | 28 | 10 | 12 | 2.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10034116 | 78797 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 1081 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2112785 | 78797 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 1081 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10396384 | 78495 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1095 | 28 | 11 | 11 | 2.1 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2111952 | 78495 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1095 | 28 | 11 | 11 | 2.1 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10260590 | 78496 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1081 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2111953 | 78496 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1081 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10011511 | 96966 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1149 | 28 | 11 | 11 | 2.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL266535 | 96966 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1149 | 28 | 11 | 11 | 2.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44359136 | 97123 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1097 | 28 | 10 | 11 | 2.9 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccs1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL267943 | 97123 | 0 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 1097 | 28 | 10 | 11 | 2.9 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccs1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
10079875 | 96738 | 0 | None | - | 1 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 1109 | 28 | 11 | 11 | 2.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL264648 | 96738 | 0 | None | - | 1 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 1109 | 28 | 11 | 11 | 2.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
14836442 | 102161 | 0 | None | - | 1 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 873 | 24 | 10 | 9 | 1.5 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL302802 | 102161 | 0 | None | - | 1 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 873 | 24 | 10 | 9 | 1.5 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
10260590 | 78496 | 0 | None | - | 1 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 1081 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2111953 | 78496 | 0 | None | - | 1 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 1081 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44306525 | 101028 | 0 | None | - | 1 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 873 | 25 | 10 | 9 | 1.6 | CCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL294724 | 101028 | 0 | None | - | 1 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 873 | 25 | 10 | 9 | 1.6 | CCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
14836440 | 102136 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 929 | 26 | 10 | 9 | 3.0 | CCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)C)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL302612 | 102136 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 929 | 26 | 10 | 9 | 3.0 | CCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)C)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL274874 | 210795 | 9 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C)C(N)=O | 10.1021/jm00111a027 | ||||
16200972 | 96866 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 1202 | 28 | 11 | 13 | 3.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL265736 | 96866 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 1202 | 28 | 11 | 13 | 3.6 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44306268 | 102250 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 858 | 24 | 10 | 9 | 1.2 | CCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL303295 | 102250 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 858 | 24 | 10 | 9 | 1.2 | CCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
10079875 | 96738 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 1109 | 28 | 11 | 11 | 2.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL264648 | 96738 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 1109 | 28 | 11 | 11 | 2.3 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44307187 | 102585 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 873 | 26 | 10 | 9 | 1.7 | CCCCC(CCCC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL304177 | 102585 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 873 | 26 | 10 | 9 | 1.7 | CCCCC(CCCC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
73351474 | 89319 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 917 | 27 | 10 | 10 | 1.5 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](COCCC(C)C)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369388 | 89319 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 917 | 27 | 10 | 10 | 1.5 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](COCCC(C)C)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
44306328 | 96809 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 887 | 26 | 10 | 9 | 2.0 | CCCCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL265229 | 96809 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 887 | 26 | 10 | 9 | 2.0 | CCCCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
10351270 | 96721 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 1135 | 27 | 11 | 11 | 2.2 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL264465 | 96721 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 1135 | 27 | 11 | 11 | 2.2 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44358776 | 141378 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1139 | 29 | 12 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL383984 | 141378 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1139 | 29 | 12 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
73351473 | 89316 | 0 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 888 | 26 | 10 | 10 | 0.8 | CCCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369384 | 89316 | 0 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 888 | 26 | 10 | 10 | 0.8 | CCCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
44307188 | 203431 | 0 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 844 | 24 | 10 | 9 | 1.0 | CCCC(CCC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL65893 | 203431 | 0 | None | - | 1 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 844 | 24 | 10 | 9 | 1.0 | CCCC(CCC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL438290 | 213742 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C)C(N)=O | 10.1021/jm00111a027 | ||||
44358832 | 141818 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 1131 | 28 | 11 | 11 | 2.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL386478 | 141818 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 1131 | 28 | 11 | 11 | 2.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm00030a002 | ||
10463866 | 168857 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 1082 | 27 | 12 | 12 | 0.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL438279 | 168857 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 1082 | 27 | 12 | 12 | 0.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccccc1N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
14836430 | 98355 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 887 | 26 | 10 | 9 | 2.0 | CCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL275323 | 98355 | 0 | None | - | 1 | Mouse | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 887 | 26 | 10 | 9 | 2.0 | CCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
73346890 | 89315 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 873 | 25 | 10 | 9 | 1.6 | CCCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369377 | 89315 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 873 | 25 | 10 | 9 | 1.6 | CCCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
44306268 | 102250 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 858 | 24 | 10 | 9 | 1.2 | CCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL303295 | 102250 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 858 | 24 | 10 | 9 | 1.2 | CCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
44307197 | 156208 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 901 | 27 | 10 | 9 | 2.4 | CCCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL406474 | 156208 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 901 | 27 | 10 | 9 | 2.4 | CCCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369372 | 209580 | 8 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||||
44358777 | 161914 | 0 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 1081 | 28 | 10 | 11 | 1.5 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL415455 | 161914 | 0 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 1081 | 28 | 10 | 11 | 1.5 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44306328 | 96809 | 0 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 887 | 26 | 10 | 9 | 2.0 | CCCCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL265229 | 96809 | 0 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 887 | 26 | 10 | 9 | 2.0 | CCCCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
44306525 | 101028 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 873 | 25 | 10 | 9 | 1.6 | CCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL294724 | 101028 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 873 | 25 | 10 | 9 | 1.6 | CCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
10034116 | 78797 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 1081 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2112785 | 78797 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 1081 | 27 | 11 | 11 | 1.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
73351473 | 89316 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 888 | 26 | 10 | 10 | 0.8 | CCCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369384 | 89316 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 888 | 26 | 10 | 10 | 0.8 | CCCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL263873 | 210574 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C)C(N)=O | 10.1021/jm00111a027 | ||||
44307187 | 102585 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 873 | 26 | 10 | 9 | 1.7 | CCCCC(CCCC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL304177 | 102585 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 873 | 26 | 10 | 9 | 1.7 | CCCCC(CCCC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
10034212 | 161786 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 1135 | 27 | 11 | 11 | 2.2 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL414356 | 161786 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 1135 | 27 | 11 | 11 | 2.2 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2369372 | 209580 | 8 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||||
73354457 | 89311 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 846 | 23 | 11 | 10 | -0.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369363 | 89311 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 846 | 23 | 11 | 10 | -0.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
71459894 | 78497 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1139 | 29 | 12 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2111954 | 78497 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1139 | 29 | 12 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
15745500 | 89318 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 874 | 25 | 10 | 10 | 0.4 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369387 | 89318 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 874 | 25 | 10 | 10 | 0.4 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
73351474 | 89319 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 917 | 27 | 10 | 10 | 1.5 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](COCCC(C)C)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369388 | 89319 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 917 | 27 | 10 | 10 | 1.5 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](COCCC(C)C)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
73354459 | 89313 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 888 | 25 | 10 | 10 | 0.8 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369375 | 89313 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 888 | 25 | 10 | 10 | 0.8 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
44306456 | 102631 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 858 | 24 | 10 | 9 | 1.2 | CCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL304469 | 102631 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 858 | 24 | 10 | 9 | 1.2 | CCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
14836430 | 98355 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 887 | 26 | 10 | 9 | 2.0 | CCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL275323 | 98355 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 887 | 26 | 10 | 9 | 2.0 | CCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
44306414 | 169205 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 1033 | 28 | 12 | 12 | 0.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)C)C(C)C)C(N)=O | 10.1021/jm00111a027 | ||
CHEMBL440986 | 169205 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 1033 | 28 | 12 | 12 | 0.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)C)C(C)C)C(N)=O | 10.1021/jm00111a027 | ||
44306456 | 102631 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 858 | 24 | 10 | 9 | 1.2 | CCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL304469 | 102631 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 858 | 24 | 10 | 9 | 1.2 | CCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
15745501 | 89314 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 888 | 25 | 10 | 10 | 0.8 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369376 | 89314 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 888 | 25 | 10 | 10 | 0.8 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
73354459 | 89313 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 888 | 25 | 10 | 10 | 0.8 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369375 | 89313 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 888 | 25 | 10 | 10 | 0.8 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
44358832 | 141818 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1131 | 28 | 11 | 11 | 2.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL386478 | 141818 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1131 | 28 | 11 | 11 | 2.7 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc2ccccc2c1)C(N)=O | 10.1021/jm00030a002 | ||
44359136 | 97123 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1097 | 28 | 10 | 11 | 2.9 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccs1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL267943 | 97123 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 1097 | 28 | 10 | 11 | 2.9 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccs1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
71459894 | 78497 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 1139 | 29 | 12 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2111954 | 78497 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 1139 | 29 | 12 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
73346890 | 89315 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 873 | 25 | 10 | 9 | 1.6 | CCCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369377 | 89315 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 873 | 25 | 10 | 9 | 1.6 | CCCC[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
15745500 | 89318 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 874 | 25 | 10 | 10 | 0.4 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369387 | 89318 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 874 | 25 | 10 | 10 | 0.4 | CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
44358776 | 141378 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 1139 | 29 | 12 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL383984 | 141378 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 1139 | 29 | 12 | 12 | 0.8 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44307197 | 156208 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 901 | 27 | 10 | 9 | 2.4 | CCCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL406474 | 156208 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 901 | 27 | 10 | 9 | 2.4 | CCCCCC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
44359129 | 141709 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1155 | 32 | 13 | 12 | 1.4 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(C)C)C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL385805 | 141709 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1155 | 32 | 13 | 12 | 1.4 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(C)C)C(O)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL2370862 | 209912 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||||
14836442 | 102161 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 873 | 24 | 10 | 9 | 1.5 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL302802 | 102161 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 873 | 24 | 10 | 9 | 1.5 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
73352939 | 89317 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 860 | 24 | 10 | 10 | 0.1 | COC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369385 | 89317 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 860 | 24 | 10 | 10 | 0.1 | COC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
10396443 | 157977 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1135 | 27 | 11 | 11 | 2.2 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
CHEMBL408537 | 157977 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 1135 | 27 | 11 | 11 | 2.2 | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00030a002 | ||
44307188 | 203431 | 0 | None | - | 1 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 844 | 24 | 10 | 9 | 1.0 | CCCC(CCC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL65893 | 203431 | 0 | None | - | 1 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 844 | 24 | 10 | 9 | 1.0 | CCCC(CCC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
73354457 | 89311 | 0 | None | - | 1 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 846 | 23 | 11 | 10 | -0.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369363 | 89311 | 0 | None | - | 1 | Mouse | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 846 | 23 | 11 | 10 | -0.6 | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)CC(C)C)C(C)C | 10.1021/jm00111a027 | ||
73352939 | 89317 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 860 | 24 | 10 | 10 | 0.1 | COC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
CHEMBL2369385 | 89317 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 860 | 24 | 10 | 10 | 0.1 | COC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C | 10.1021/jm00111a027 | ||
626 | 3014 | 40 | None | -125 | 2 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | ||
9829828 | 3014 | 40 | None | -125 | 2 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL405908 | 3014 | 40 | None | -125 | 2 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | ||
632 | 1466 | 0 | None | 4 | 2 | Human | 10.2 | pIC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
627 | 110 | 0 | None | 630 | 2 | Mouse | 12.0 | pIC50 | = | 12 | Functional | Guide to Pharmacology | None | None | None | None | 8446610 | ||||
6176 | 571 | 0 | None | -3890 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | 895 | 23 | 7 | 8 | 4.8 | CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C | 20096642 | ||
6176 | 571 | 0 | None | -3890 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | 895 | 23 | 7 | 8 | 4.8 | CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C | 23892571 | ||
73755180 | 571 | 0 | None | -3890 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | 895 | 23 | 7 | 8 | 4.8 | CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C | 20096642 | ||
73755180 | 571 | 0 | None | -3890 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | 895 | 23 | 7 | 8 | 4.8 | CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C | 23892571 | ||
6185 | 1471 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
6172 | 1439 | 0 | None | -10 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
635 | 1438 | 0 | None | -8 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
635 | 1438 | 0 | None | -8 | 4 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
621 | 3013 | 29 | None | -4073 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 19463875 | ||
9937534 | 3013 | 29 | None | -4073 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 19463875 | ||
CHEMBL329650 | 3013 | 29 | None | -4073 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 19463875 | ||
6184 | 1310 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
155817490 | 2294 | 0 | None | -3 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6168 | 2294 | 0 | None | -3 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
5281668 | 2190 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 760 | 9 | 8 | 11 | 8.8 | CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C | 7646517 | ||
622 | 2190 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 760 | 9 | 8 | 11 | 8.8 | CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C | 7646517 | ||
CHEMBL506234 | 2190 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 760 | 9 | 8 | 11 | 8.8 | CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C | 7646517 | ||
626 | 3014 | 40 | None | -125 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 19463875 | ||
9829828 | 3014 | 40 | None | -125 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 19463875 | ||
CHEMBL405908 | 3014 | 40 | None | -125 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 19463875 | ||
155817489 | 3093 | 0 | None | -83 | 4 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6166 | 3093 | 0 | None | -83 | 4 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
155817488 | 3302 | 0 | None | -676 | 4 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
57340152 | 3302 | 0 | None | -676 | 4 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6165 | 3302 | 0 | None | -676 | 4 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
155817490 | 2294 | 0 | None | 1 | 4 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6168 | 2294 | 0 | None | 1 | 4 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6178 | 2750 | 0 | None | -346 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
4345957 | 2748 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
4345957 | 2748 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
613 | 2748 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
613 | 2748 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
155817488 | 3302 | 0 | None | -109 | 4 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
57340152 | 3302 | 0 | None | -109 | 4 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6165 | 3302 | 0 | None | -109 | 4 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6163 | 2749 | 0 | None | -67 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
11948463 | 1483 | 0 | None | -7 | 2 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 1726427 | ||||
6183 | 1483 | 0 | None | -7 | 2 | Mouse | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 1726427 | ||||
629 | 2288 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
12494 | 1470 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 20717822 | ||||
625 | 256 | 0 | None | -1 | 2 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 2544588 | ||||
22146595 | 3265 | 0 | None | -2 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
618 | 3265 | 0 | None | -2 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
625 | 256 | 0 | None | 1 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
6180 | 1467 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
14235547 | 2315 | 0 | None | -1 | 2 | Rat | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
617 | 2315 | 0 | None | -1 | 2 | Rat | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
11948463 | 1483 | 0 | None | 7 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
6183 | 1483 | 0 | None | 7 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
11259 | 2287 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
16168801 | 2287 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
3840 | 1469 | 0 | None | 7762 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
11948463 | 1483 | 0 | None | 7 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
6183 | 1483 | 0 | None | 7 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
624 | 2117 | 0 | None | 7943 | 2 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10231715 | ||||
624 | 2117 | 0 | None | 7943 | 2 | Mouse | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 11463790 | ||||
14235547 | 2315 | 0 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
617 | 2315 | 0 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
22146595 | 3265 | 0 | None | 2 | 3 | Rat | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
618 | 3265 | 0 | None | 2 | 3 | Rat | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6182 | 1468 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
627 | 110 | 0 | None | -630 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
627 | 110 | 0 | None | -630 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 8446610 | ||||
6179 | 1295 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
3889 | 2118 | 0 | None | 3311 | 2 | Mouse | 9.3 | pIC50 | = | 9.3 | Functional | Guide to Pharmacology | None | None | None | None | 11463790 | ||||
155817491 | 1765 | 0 | None | 758 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6175 | 1765 | 0 | None | 758 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6178 | 2750 | 0 | None | 346 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
612 | 1763 | 0 | None | - | 1 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
CHEMBL413196 | 1763 | 0 | None | - | 1 | Human | 9.9 | pIC50 | = | 9.9 | Functional | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
101835328 | 701 | 41 | None | 6 | 3 | Human | 10.0 | pIC50 | = | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
16133800 | 701 | 41 | None | 6 | 3 | Human | 10.0 | pIC50 | = | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
16201612 | 701 | 41 | None | 6 | 3 | Human | 10.0 | pIC50 | = | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
616 | 701 | 41 | None | 6 | 3 | Human | 10.0 | pIC50 | = | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
91898967 | 701 | 41 | None | 6 | 3 | Human | 10.0 | pIC50 | = | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
CHEMBL437027 | 701 | 41 | None | 6 | 3 | Human | 10.0 | pIC50 | = | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
DB11724 | 701 | 41 | None | 6 | 3 | Human | 10.0 | pIC50 | = | 10.0 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
49871766 | 2540 | 40 | None | -6165 | 5 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | 444 | 6 | 2 | 4 | 4.5 | FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F | 23892571 | ||
6170 | 2540 | 40 | None | -6165 | 5 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | 444 | 6 | 2 | 4 | 4.5 | FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F | 23892571 | ||
CHEMBL1672354 | 2540 | 40 | None | -6165 | 5 | Human | 5.0 | pIC50 | > | 5 | Functional | Guide to Pharmacology | 444 | 6 | 2 | 4 | 4.5 | FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F | 23892571 | ||
155817489 | 3093 | 0 | None | -1318 | 4 | Human | 5.5 | pIC50 | > | 5.5 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
6166 | 3093 | 0 | None | -1318 | 4 | Human | 5.5 | pIC50 | > | 5.5 | Functional | Guide to Pharmacology | None | None | None | None | 21729729 |
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 |
101835328 | 701 | 41 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.02.051 | ||||
16133800 | 701 | 41 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.02.051 | ||||
16201612 | 701 | 41 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.02.051 | ||||
616 | 701 | 41 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.02.051 | ||||
91898967 | 701 | 41 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.02.051 | ||||
CHEMBL437027 | 701 | 41 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.02.051 | ||||
DB11724 | 701 | 41 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2008.02.051 | ||||
44454030 | 97854 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 1194 | 42 | 14 | 14 | 0.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CCCCCN)C(C)C)C(N)=O | 10.1016/j.bmcl.2008.02.051 | ||
CHEMBL272335 | 97854 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 1194 | 42 | 14 | 14 | 0.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CCCCCN)C(C)C)C(N)=O | 10.1016/j.bmcl.2008.02.051 | ||
CHEMBL2371725 | 210095 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O | 10.1021/jm049437y | ||||
11389266 | 161781 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 1303 | 44 | 17 | 18 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | ||
CHEMBL414307 | 161781 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 1303 | 44 | 17 | 18 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | ||
CHEMBL2371724 | 210094 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O | 10.1021/jm049437y | ||||
CHEMBL2371725 | 210095 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O | 10.1021/jm049437y | ||||
CHEMBL2372319 | 210194 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(C)C)C(N)=O | 10.1021/jm900360d | ||||
11434815 | 96907 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1285 | 44 | 17 | 17 | -2.2 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | ||
CHEMBL266079 | 96907 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1285 | 44 | 17 | 17 | -2.2 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | ||
118728504 | 117676 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1501 | 43 | 15 | 18 | -1.0 | CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(NC(=O)Cn2cc(C[N+](C)(C)C[B-](F)(F)F)nn2)CC1)C(C)C)C(N)=O | 10.1016/j.bmc.2015.02.009 | ||
CHEMBL3401466 | 117676 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1501 | 43 | 15 | 18 | -1.0 | CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(NC(=O)Cn2cc(C[N+](C)(C)C[B-](F)(F)F)nn2)CC1)C(C)C)C(N)=O | 10.1016/j.bmc.2015.02.009 | ||
11389266 | 161781 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1303 | 44 | 17 | 18 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | ||
CHEMBL414307 | 161781 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 1303 | 44 | 17 | 18 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | ||
CHEMBL413893 | 213076 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | ||||
CHEMBL2371726 | 210096 | 16 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O | 10.1021/jm049437y | ||||
CHEMBL2373083 | 210346 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
CHEMBL525820 | 215641 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(C)C)C(N)=O | 10.1021/jm900360d | ||||
11434815 | 96907 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1285 | 44 | 17 | 17 | -2.2 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | ||
CHEMBL266079 | 96907 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1285 | 44 | 17 | 17 | -2.2 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O | 10.1021/jm049437y | ||
CHEMBL2372320 | 210195 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(C)C)C(N)=O | 10.1021/jm900360d | ||||
89574666 | 147074 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1462 | 44 | 18 | 20 | -3.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3927340 | 147074 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1462 | 44 | 18 | 20 | -3.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)cc1)C(C)C)C(N)=O | nan | ||
16154477 | 150350 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3953323 | 150350 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL2373082 | 210345 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NC(=O)CC[N+]1=C(/C=C/C=C/C=C/C=C2/N(CCC(=O)O)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21)C(C)C | 10.1021/jm010519l | ||||
134133036 | 144515 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1586 | 51 | 23 | 23 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3907272 | 144515 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1586 | 51 | 23 | 23 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL2371724 | 210094 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O | 10.1021/jm049437y | ||||
134141812 | 147196 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1688 | 45 | 17 | 21 | -0.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(c1ccccc1)c1ccccc1)C(C)C)C(N)=O | nan | ||
CHEMBL3928340 | 147196 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1688 | 45 | 17 | 21 | -0.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(c1ccccc1)c1ccccc1)C(C)C)C(N)=O | nan | ||
134147007 | 149911 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 2092 | 62 | 26 | 30 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
89574678 | 149911 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 2092 | 62 | 26 | 30 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3949652 | 149911 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 2092 | 62 | 26 | 30 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134147500 | 149945 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1618 | 49 | 17 | 23 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3949938 | 149945 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1618 | 49 | 17 | 23 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
87217835 | 150152 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1459 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3951758 | 150152 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1459 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134144212 | 150323 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1632 | 55 | 21 | 25 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3953118 | 150323 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1632 | 55 | 21 | 25 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134154031 | 152833 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1517 | 48 | 21 | 23 | -8.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3974250 | 152833 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1517 | 48 | 21 | 23 | -8.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL2373081 | 210344 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
117745224 | 145873 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 3055 | 107 | 34 | 38 | -2.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CCCCCCCNC(=O)CNC(=O)CC[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)C(C)C)C(N)=O | nan | ||
134143091 | 145873 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 3055 | 107 | 34 | 38 | -2.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CCCCCCCNC(=O)CNC(=O)CC[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3917761 | 145873 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 3055 | 107 | 34 | 38 | -2.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CCCCCCCNC(=O)CNC(=O)CC[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCCCCCCC(=O)NCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)C(C)C)C(N)=O | nan | ||
134149621 | 148606 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1449 | 45 | 16 | 19 | -2.2 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3939368 | 148606 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1449 | 45 | 16 | 19 | -2.2 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
87217695 | 149595 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1516 | 42 | 17 | 21 | -3.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3947163 | 149595 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1516 | 42 | 17 | 21 | -3.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134153125 | 152603 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1559 | 52 | 19 | 23 | -6.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3972207 | 152603 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1559 | 52 | 19 | 23 | -6.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134143380 | 145838 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1633 | 58 | 19 | 25 | -6.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3917426 | 145838 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1633 | 58 | 19 | 25 | -6.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
117745216 | 142990 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1517 | 42 | 18 | 22 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NNC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3894747 | 142990 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1517 | 42 | 18 | 22 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NNC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134139924 | 146568 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1599 | 54 | 21 | 23 | -5.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3923123 | 146568 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1599 | 54 | 21 | 23 | -5.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
117745213 | 151033 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1516 | 41 | 17 | 21 | -3.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3958775 | 151033 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1516 | 41 | 17 | 21 | -3.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134137019 | 142648 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1518 | 41 | 18 | 22 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(O)c1)C(C)C)C(N)=O | nan | ||
CHEMBL3891981 | 142648 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1518 | 41 | 18 | 22 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(O)c1)C(C)C)C(N)=O | nan | ||
134133880 | 143503 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1701 | 58 | 23 | 25 | -8.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3898895 | 143503 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1701 | 58 | 23 | 25 | -8.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134155919 | 150821 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1612 | 44 | 17 | 21 | -2.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3957129 | 150821 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1612 | 44 | 17 | 21 | -2.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
90663990 | 106792 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1843 | 45 | 20 | 26 | -0.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||
CHEMBL3144559 | 106792 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1843 | 45 | 20 | 26 | -0.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||
CHEMBL2373077 | 210340 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
44341808 | 9445 | 1 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 454 | 2 | 2 | 4 | 2.7 | O=C1NC(=O)C2(N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ncc(Br)cc12 | 10.1016/S0960-894X(01)80213-4 | ||
CHEMBL111963 | 9445 | 1 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 454 | 2 | 2 | 4 | 2.7 | O=C1NC(=O)C2(N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ncc(Br)cc12 | 10.1016/S0960-894X(01)80213-4 | ||
44341807 | 109744 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 527 | 6 | 2 | 4 | 7.2 | CCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(OCc3ccccc3C(=O)O)ccc21 | 10.1016/S0960-894X(01)80213-4 | ||
CHEMBL323166 | 109744 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 527 | 6 | 2 | 4 | 7.2 | CCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(OCc3ccccc3C(=O)O)ccc21 | 10.1016/S0960-894X(01)80213-4 | ||
626 | 3014 | 40 | None | -5 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | ||
9829828 | 3014 | 40 | None | -5 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL405908 | 3014 | 40 | None | -5 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 10.1016/s0960-894x(98)00462-4 | ||
134129920 | 142383 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1621 | 46 | 20 | 22 | -4.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3889769 | 142383 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1621 | 46 | 20 | 22 | -4.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
134145928 | 149069 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1574 | 53 | 20 | 25 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(CN)C(=O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3943104 | 149069 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1574 | 53 | 20 | 25 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(CN)C(=O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134144355 | 150468 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1774 | 47 | 17 | 22 | -0.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3954412 | 150468 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1774 | 47 | 17 | 22 | -0.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134156692 | 154036 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1668 | 49 | 17 | 23 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3984587 | 154036 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1668 | 49 | 17 | 23 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134152732 | 153316 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1649 | 45 | 18 | 22 | -3.0 | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3978343 | 153316 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1649 | 45 | 18 | 22 | -3.0 | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL2314835 | 209485 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCC(=O)NCC(=O)Nc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)cc1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2012.11.110 | ||||
134137917 | 147746 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1411 | 41 | 16 | 20 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3932563 | 147746 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1411 | 41 | 16 | 20 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134135229 | 144197 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1558 | 51 | 21 | 23 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3904512 | 144197 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1558 | 51 | 21 | 23 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
101835328 | 701 | 41 | None | 2 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
16133800 | 701 | 41 | None | 2 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
16201612 | 701 | 41 | None | 2 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
616 | 701 | 41 | None | 2 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
91898967 | 701 | 41 | None | 2 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
CHEMBL437027 | 701 | 41 | None | 2 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
DB11724 | 701 | 41 | None | 2 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
CHEMBL3967904 | 212476 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]1CCCN1)C(C)C)C(N)=O | nan | ||||
134141230 | 147108 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1442 | 47 | 18 | 20 | -4.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3927633 | 147108 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1442 | 47 | 18 | 20 | -4.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134151148 | 151557 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1535 | 41 | 16 | 20 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(-c2ccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)c1)C(C)C)C(N)=O | nan | ||
CHEMBL3963362 | 151557 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1535 | 41 | 16 | 20 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(-c2ccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)c1)C(C)C)C(N)=O | nan | ||
16152968 | 153999 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1518 | 40 | 17 | 20 | -3.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
88586487 | 153999 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1518 | 40 | 17 | 20 | -3.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3984233 | 153999 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1518 | 40 | 17 | 20 | -3.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134134872 | 144379 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1673 | 58 | 21 | 25 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3906078 | 144379 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1673 | 58 | 21 | 25 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
90663987 | 106790 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1822 | 54 | 21 | 26 | -0.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=S)Nc1ccc2c(c1)C(=O)OC21C=C(/C=C(\C)O)Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||
CHEMBL3144556 | 106790 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1822 | 54 | 21 | 26 | -0.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=S)Nc1ccc2c(c1)C(=O)OC21C=C(/C=C(\C)O)Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||
90663973 | 106766 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 2047 | 45 | 24 | 28 | 2.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||
CHEMBL3144532 | 106766 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 2047 | 45 | 24 | 28 | 2.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||
134137003 | 142463 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1593 | 46 | 18 | 22 | -3.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3890461 | 142463 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1593 | 46 | 18 | 22 | -3.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3929807 | 212438 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||||
CHEMBL2429964 | 210431 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc([Si](F)(C(C)(C)C)C(C)(C)C)cc1)C(C)C)C(N)=O | 10.1021/jm400857f | ||||
134136949 | 142730 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1555 | 47 | 19 | 24 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(CN)C(=O)NC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3892523 | 142730 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1555 | 47 | 19 | 24 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(CN)C(=O)NC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
87217475 | 149454 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1459 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccccc1CNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3946241 | 149454 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1459 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccccc1CNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
87217686 | 151457 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1756 | 44 | 18 | 22 | -0.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)C(C)C)C(N)=O | nan | ||
CHEMBL3962308 | 151457 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1756 | 44 | 18 | 22 | -0.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)C(C)C)C(N)=O | nan | ||
134157223 | 153555 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1495 | 42 | 16 | 22 | -5.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3980433 | 153555 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1495 | 42 | 16 | 22 | -5.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL2429981 | 210433 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)C(O)C(O)C(=O)NCCc1ccc([Si](F)(C(C)(C)C)C(C)(C)C)cc1)C(C)C)C(N)=O | 10.1021/jm400857f | ||||
134149131 | 148689 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1552 | 43 | 18 | 22 | -4.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3940112 | 148689 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1552 | 43 | 18 | 22 | -4.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
134138604 | 147802 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1437 | 39 | 16 | 20 | -2.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3932925 | 147802 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1437 | 39 | 16 | 20 | -2.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3144547 | 211161 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
134135762 | 144476 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1599 | 50 | 20 | 24 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3906914 | 144476 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1599 | 50 | 20 | 24 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
134153191 | 152269 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1601 | 51 | 19 | 24 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@@H]1CC(O)CN1C(=O)CNC(=O)[C@@H](CSCNC(C)=O)NC(=O)[C@@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3969439 | 152269 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1601 | 51 | 19 | 24 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@@H]1CC(O)CN1C(=O)CNC(=O)[C@@H](CSCNC(C)=O)NC(=O)[C@@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134152431 | 153389 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1662 | 44 | 17 | 21 | -1.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3978969 | 153389 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1662 | 44 | 17 | 21 | -1.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
134157363 | 153849 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1400 | 44 | 18 | 20 | -6.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3982939 | 153849 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1400 | 44 | 18 | 20 | -6.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134132419 | 144652 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1625 | 50 | 21 | 24 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)N[C@@H](CCCNC(=N)N)C(=O)NC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3908400 | 144652 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1625 | 50 | 21 | 24 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)N[C@@H](CCCNC(=N)N)C(=O)NC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3144557 | 211162 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
117745230 | 142507 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1523 | 40 | 17 | 21 | -3.0 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)O)C(N)=O | nan | ||
CHEMBL3890803 | 142507 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1523 | 40 | 17 | 21 | -3.0 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)O)C(N)=O | nan | ||
CHEMBL2373079 | 210342 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
134143831 | 150450 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1644 | 56 | 22 | 24 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3954296 | 150450 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1644 | 56 | 22 | 24 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134157296 | 154101 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1552 | 41 | 17 | 21 | -2.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2cc(NC(=O)CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)ccc2c1)C(C)C)C(N)=O | nan | ||
CHEMBL3985283 | 154101 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1552 | 41 | 17 | 21 | -2.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2cc(NC(=O)CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)ccc2c1)C(C)C)C(N)=O | nan | ||
CHEMBL2373073 | 210337 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
10124999 | 153407 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1467 | 45 | 16 | 20 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3979188 | 153407 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1467 | 45 | 16 | 20 | -2.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134147698 | 150006 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1688 | 45 | 17 | 21 | -0.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3950452 | 150006 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1688 | 45 | 17 | 21 | -0.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
87217693 | 151249 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1489 | 41 | 16 | 21 | -3.2 | COc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)ccc1CNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | nan | ||
CHEMBL3960359 | 151249 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1489 | 41 | 16 | 21 | -3.2 | COc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)ccc1CNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | nan | ||
134135783 | 143928 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1693 | 42 | 17 | 22 | -2.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)CC3)C(C)C)C(N)=O | nan | ||
CHEMBL3902429 | 143928 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1693 | 42 | 17 | 22 | -2.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)CC3)C(C)C)C(N)=O | nan | ||
134156166 | 151259 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1631 | 55 | 21 | 26 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(CN)C(=O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3960431 | 151259 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1631 | 55 | 21 | 26 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(CN)C(=O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3894546 | 212402 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||||
134146403 | 149023 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1551 | 43 | 18 | 22 | -4.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(CN)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3942766 | 149023 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1551 | 43 | 18 | 22 | -4.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(CN)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
134146430 | 149210 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1600 | 53 | 21 | 23 | -6.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3944228 | 149210 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1600 | 53 | 21 | 23 | -6.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134144971 | 150750 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1640 | 53 | 20 | 25 | -6.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)N[C@@H](CCCCN)C(=O)NC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3956532 | 150750 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1640 | 53 | 20 | 25 | -6.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)N[C@@H](CCCCN)C(=O)NC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
117745215 | 150694 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1631 | 44 | 18 | 21 | -2.7 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134144276 | 150694 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1631 | 44 | 18 | 21 | -2.7 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3956135 | 150694 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1631 | 44 | 18 | 21 | -2.7 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134144638 | 150486 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1604 | 48 | 17 | 23 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3954514 | 150486 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1604 | 48 | 17 | 23 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134150313 | 152033 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1557 | 48 | 18 | 24 | -6.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(CN)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3967320 | 152033 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1557 | 48 | 18 | 24 | -6.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C(CN)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134134554 | 143320 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1563 | 52 | 19 | 22 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CC[C@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3897431 | 143320 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1563 | 52 | 19 | 22 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CC[C@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)cc1)C(C)C)C(N)=O | nan | ||
134133056 | 144657 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1575 | 53 | 20 | 24 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3908441 | 144657 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1575 | 53 | 20 | 24 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134140174 | 146339 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1612 | 53 | 17 | 23 | -3.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3921397 | 146339 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1612 | 53 | 17 | 23 | -3.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134145096 | 150397 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1668 | 53 | 22 | 24 | -7.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3953851 | 150397 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1668 | 53 | 22 | 24 | -7.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
134144567 | 150734 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1657 | 55 | 19 | 25 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3956432 | 150734 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1657 | 55 | 19 | 25 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CN1CCN(CCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
134152579 | 153130 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1701 | 58 | 23 | 25 | -8.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3976709 | 153130 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1701 | 58 | 23 | 25 | -8.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134151766 | 153135 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1397 | 40 | 16 | 20 | -4.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3976771 | 153135 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1397 | 40 | 16 | 20 | -4.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134152521 | 151513 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1360 | 37 | 15 | 19 | -3.9 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3963000 | 151513 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1360 | 37 | 15 | 19 | -3.9 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3942065 | 212448 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||||
CHEMBL3901298 | 212416 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(N)=O | nan | ||||
117745229 | 147097 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3071 | 107 | 34 | 46 | -11.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CNC(=O)CC[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)C(C)C)C(N)=O | nan | ||
134140724 | 147097 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3071 | 107 | 34 | 46 | -11.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CNC(=O)CC[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3927507 | 147097 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3071 | 107 | 34 | 46 | -11.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CNC(=O)CC[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)C(C)C)C(N)=O | nan | ||
134146870 | 149592 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1660 | 56 | 21 | 25 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3947145 | 149592 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1660 | 56 | 21 | 25 | -7.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134145720 | 148844 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1722 | 51 | 17 | 24 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3941432 | 148844 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1722 | 51 | 17 | 24 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134139696 | 146335 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1631 | 55 | 21 | 26 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(CN)C(=O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3921363 | 146335 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1631 | 55 | 21 | 26 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(CN)C(=O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134154211 | 152597 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1556 | 47 | 19 | 24 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)N[C@@H](CO)C(=O)NC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3972172 | 152597 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1556 | 47 | 19 | 24 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)N[C@@H](CO)C(=O)NC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
134135547 | 144313 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1632 | 55 | 21 | 25 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3905562 | 144313 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1632 | 55 | 21 | 25 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134142509 | 145831 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1575 | 53 | 20 | 24 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3917368 | 145831 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1575 | 53 | 20 | 24 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
117745225 | 146760 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1559 | 43 | 18 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3924581 | 146760 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1559 | 43 | 18 | 22 | -4.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134141274 | 146798 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1616 | 56 | 20 | 24 | -6.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3924852 | 146798 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1616 | 56 | 20 | 24 | -6.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
87217701 | 149815 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1504 | 41 | 16 | 22 | -3.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c([N+](=O)[O-])c1)C(C)C)C(N)=O | nan | ||
CHEMBL3948894 | 149815 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1504 | 41 | 16 | 22 | -3.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c([N+](=O)[O-])c1)C(C)C)C(N)=O | nan | ||
117745218 | 150101 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1536 | 41 | 17 | 21 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(Cl)c1)C(C)C)C(N)=O | nan | ||
CHEMBL3951222 | 150101 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1536 | 41 | 17 | 21 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(Cl)c1)C(C)C)C(N)=O | nan | ||
134149923 | 152032 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1568 | 42 | 18 | 22 | -3.7 | COc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)ccc1NC(=O)CNC(=O)CN1CCN(CC(=O)O)CCN(CP(=O)(O)O)CCN(CC(=O)O)CC1 | nan | ||
CHEMBL3967299 | 152032 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1568 | 42 | 18 | 22 | -3.7 | COc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)ccc1NC(=O)CNC(=O)CN1CCN(CC(=O)O)CCN(CP(=O)(O)O)CCN(CC(=O)O)CC1 | nan | ||
134134622 | 144480 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1560 | 43 | 18 | 22 | -3.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)[C@@H](CC(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3906942 | 144480 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1560 | 43 | 18 | 22 | -3.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)[C@@H](CC(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134149449 | 148126 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1716 | 46 | 17 | 22 | -1.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccc(C(=O)c3ccccc3)cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3935535 | 148126 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1716 | 46 | 17 | 22 | -1.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccc(C(=O)c3ccccc3)cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
134147639 | 149569 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 2120 | 62 | 28 | 30 | -8.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
89574667 | 149569 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 2120 | 62 | 28 | 30 | -8.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3946952 | 149569 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 2120 | 62 | 28 | 30 | -8.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134143966 | 150612 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1732 | 47 | 20 | 22 | -1.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C[C@H]1C[C@H]3O)C(C)C)C(N)=O | nan | ||
CHEMBL3955451 | 150612 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1732 | 47 | 20 | 22 | -1.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C[C@H]1C[C@H]3O)C(C)C)C(N)=O | nan | ||
134153902 | 152531 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1592 | 42 | 17 | 21 | -1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(-c2ccc(NC(=O)CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2C)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3971676 | 152531 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1592 | 42 | 17 | 21 | -1.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(-c2ccc(NC(=O)CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2C)cc1)C(C)C)C(N)=O | nan | ||
87217658 | 153300 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1754 | 44 | 17 | 22 | -0.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)C(C)C)C(N)=O | nan | ||
CHEMBL3978233 | 153300 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1754 | 44 | 17 | 22 | -0.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)C(C)C)C(N)=O | nan | ||
CHEMBL2373065 | 210332 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
87217796 | 148923 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)C(C)C)C(N)=O | nan | ||
CHEMBL3941990 | 148923 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1502 | 41 | 17 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)C(C)C)C(N)=O | nan | ||
CHEMBL2373070 | 210335 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
CHEMBL2373075 | 210339 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
134151095 | 151980 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1600 | 51 | 19 | 24 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@@H]1CC(N)CN1C(=O)CNC(=O)[C@@H](CSCNC(C)=O)NC(=O)[C@@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3966858 | 151980 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1600 | 51 | 19 | 24 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@@H]1CC(N)CN1C(=O)CNC(=O)[C@@H](CSCNC(C)=O)NC(=O)[C@@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL2373071 | 210336 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=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(N)=O | 10.1021/jm010519l | ||||
134135505 | 144060 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1631 | 55 | 21 | 25 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)C(CN)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3903401 | 144060 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1631 | 55 | 21 | 25 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)C(CN)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134156478 | 154301 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1694 | 50 | 17 | 23 | -2.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3986732 | 154301 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1694 | 50 | 17 | 23 | -2.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134155907 | 151465 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1631 | 55 | 21 | 25 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(=O)C(CN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3962383 | 151465 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1631 | 55 | 21 | 25 | -8.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(=O)C(CN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
117745217 | 152831 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1503 | 41 | 17 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nc1)C(C)C)C(N)=O | nan | ||
CHEMBL3974200 | 152831 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1503 | 41 | 17 | 22 | -4.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nc1)C(C)C)C(N)=O | nan | ||
CHEMBL3944194 | 212451 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O | nan | ||||
134135493 | 143935 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1695 | 46 | 19 | 22 | -2.3 | CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3902497 | 143935 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1695 | 46 | 19 | 22 | -2.3 | CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134153217 | 152408 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1457 | 46 | 19 | 21 | -6.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3970735 | 152408 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1457 | 46 | 19 | 21 | -6.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134135767 | 143832 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1673 | 58 | 21 | 25 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3901669 | 143832 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1673 | 58 | 21 | 25 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
87217644 | 143692 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1489 | 42 | 16 | 21 | -3.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(OCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3900523 | 143692 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1489 | 42 | 16 | 21 | -3.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(OCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
87217812 | 144664 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1459 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)C(C)C)C(N)=O | nan | ||
CHEMBL3908469 | 144664 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1459 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)C(C)C)C(N)=O | nan | ||
134132892 | 144826 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1535 | 41 | 16 | 20 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(-c2cccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c2)c1)C(C)C)C(N)=O | nan | ||
CHEMBL3909750 | 144826 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1535 | 41 | 16 | 20 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc(-c2cccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c2)c1)C(C)C)C(N)=O | nan | ||
87217489 | 144931 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1516 | 41 | 17 | 21 | -3.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(C)c1)C(C)C)C(N)=O | nan | ||
CHEMBL3910471 | 144931 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1516 | 41 | 17 | 21 | -3.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(C)c1)C(C)C)C(N)=O | nan | ||
87217719 | 146878 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1538 | 41 | 18 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CP(=O)(O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3925628 | 146878 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1538 | 41 | 18 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CP(=O)(O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134146933 | 150072 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1570 | 50 | 17 | 23 | -4.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3950946 | 150072 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1570 | 50 | 17 | 23 | -4.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
134149866 | 151572 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1616 | 56 | 20 | 24 | -6.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3963460 | 151572 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1616 | 56 | 20 | 24 | -6.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134156977 | 153956 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1604 | 43 | 17 | 21 | -2.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3983862 | 153956 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1604 | 43 | 17 | 21 | -2.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL2429987 | 210434 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)c1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O | 10.1021/jm400857f | ||||
117745222 | 147276 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1536 | 41 | 17 | 21 | -3.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3928975 | 147276 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1536 | 41 | 17 | 21 | -3.5 | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
117745221 | 152915 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1511 | 40 | 17 | 21 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3975022 | 152915 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1511 | 40 | 17 | 21 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL2373074 | 210338 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
134148642 | 148560 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1564 | 45 | 17 | 21 | -2.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3939034 | 148560 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1564 | 45 | 17 | 21 | -2.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL2373067 | 210334 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
134152895 | 153283 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1494 | 40 | 16 | 21 | -4.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCCC[C@@H](NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C1=O)C(C)C)C(N)=O | nan | ||
CHEMBL3978062 | 153283 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1494 | 40 | 16 | 21 | -4.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCCC[C@@H](NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C1=O)C(C)C)C(N)=O | nan | ||
134149553 | 148142 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1532 | 41 | 17 | 20 | -2.9 | CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3935631 | 148142 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1532 | 41 | 17 | 20 | -2.9 | CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134143699 | 150171 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1679 | 46 | 18 | 21 | -2.0 | CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3951943 | 150171 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1679 | 46 | 18 | 21 | -2.0 | CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
16154512 | 146318 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 2139 | 64 | 26 | 30 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(N)=O | nan | ||
91604306 | 146318 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 2139 | 64 | 26 | 30 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(N)=O | nan | ||
CHEMBL3921255 | 146318 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 2139 | 64 | 26 | 30 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(N)=O | nan | ||
117745231 | 142356 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 2070 | 62 | 27 | 29 | -8.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134131437 | 142356 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 2070 | 62 | 27 | 29 | -8.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3889574 | 142356 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 2070 | 62 | 27 | 29 | -8.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134141256 | 146696 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1612 | 44 | 17 | 21 | -2.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3924104 | 146696 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1612 | 44 | 17 | 21 | -2.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
134152251 | 153013 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1644 | 56 | 22 | 24 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3975769 | 153013 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1644 | 56 | 22 | 24 | -7.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134140088 | 146428 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1618 | 49 | 17 | 23 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3922105 | 146428 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1618 | 49 | 17 | 23 | -4.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||
117745207 | 144043 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1494 | 40 | 16 | 21 | -4.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3903246 | 144043 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1494 | 40 | 16 | 21 | -4.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
25025860 | 567 | 32 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 333 | 7 | 1 | 2 | 5.2 | CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C | 10.1016/j.bmcl.2010.02.076 | ||
6188 | 567 | 32 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 333 | 7 | 1 | 2 | 5.2 | CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C | 10.1016/j.bmcl.2010.02.076 | ||
CHEMBL1091720 | 567 | 32 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 333 | 7 | 1 | 2 | 5.2 | CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C | 10.1016/j.bmcl.2010.02.076 | ||
134137246 | 143053 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1597 | 50 | 19 | 24 | -6.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)N[C@@H](CCCCN)C(=O)NC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3895261 | 143053 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1597 | 50 | 19 | 24 | -6.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)N[C@@H](CCCCN)C(=O)NC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
87217854 | 144221 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1516 | 41 | 16 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(N(C)C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3904706 | 144221 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1516 | 41 | 16 | 21 | -3.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(N(C)C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134142156 | 145513 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1559 | 52 | 19 | 23 | -6.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3915029 | 145513 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1559 | 52 | 19 | 23 | -6.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134147546 | 149610 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1614 | 52 | 18 | 24 | -6.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3947283 | 149610 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1614 | 52 | 18 | 24 | -6.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)CC1)C(C)C)C(N)=O | nan | ||
134145000 | 150264 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1501 | 43 | 16 | 22 | -3.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NCc1ccc(C(=O)C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3952732 | 150264 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1501 | 43 | 16 | 22 | -3.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NCc1ccc(C(=O)C(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134147351 | 149552 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1558 | 51 | 21 | 23 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3946856 | 149552 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1558 | 51 | 21 | 23 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
117745209 | 152877 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1516 | 42 | 17 | 21 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(C(=O)NCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3974709 | 152877 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1516 | 42 | 17 | 21 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(C(=O)NCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL2373080 | 210343 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
134144419 | 150231 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1574 | 53 | 20 | 25 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(CN)C(=O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3952441 | 150231 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1574 | 53 | 20 | 25 | -7.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(CN)C(=O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134143221 | 145460 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1603 | 54 | 20 | 24 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3914573 | 145460 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1603 | 54 | 20 | 24 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
117745211 | 146683 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1649 | 45 | 18 | 22 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134141562 | 146683 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1649 | 45 | 18 | 22 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3924030 | 146683 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1649 | 45 | 18 | 22 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134131431 | 142350 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1583 | 40 | 15 | 23 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)Cn1c(=O)n(C2CCN(C(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)c2ccccc21)C(C)C)C(N)=O | nan | ||
CHEMBL3889538 | 142350 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1583 | 40 | 15 | 23 | -3.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)Cn1c(=O)n(C2CCN(C(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)c2ccccc21)C(C)C)C(N)=O | nan | ||
87217674 | 148011 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1465 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3934601 | 148011 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1465 | 40 | 16 | 20 | -3.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
87217766 | 149934 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1489 | 42 | 16 | 21 | -3.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COc1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3949860 | 149934 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1489 | 42 | 16 | 21 | -3.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COc1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134144948 | 150557 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1488 | 50 | 18 | 22 | -6.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3955071 | 150557 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1488 | 50 | 18 | 22 | -6.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
134153315 | 152410 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1606 | 48 | 17 | 21 | -1.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3970741 | 152410 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1606 | 48 | 17 | 21 | -1.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
87366958 | 154006 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1860 | 50 | 19 | 25 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C[C@H]1C[C@H]3O)C(C)C)C(N)=O | nan | ||
CHEMBL3984268 | 154006 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1860 | 50 | 19 | 25 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C[C@H]1C[C@H]3O)C(C)C)C(N)=O | nan | ||
CHEMBL3982672 | 212498 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O | nan | ||||
CHEMBL2429980 | 210432 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)Cc1ccc([Si](F)(C(C)(C)C)C(C)(C)C)cc1)C(C)C)C(N)=O | 10.1021/jm400857f | ||||
87237371 | 148912 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1772 | 44 | 19 | 23 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C[C@H]1C[C@H]3O)C(C)C)C(N)=O | nan | ||
CHEMBL3941920 | 148912 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1772 | 44 | 19 | 23 | -1.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C[C@H]1C[C@H]3O)C(C)C)C(N)=O | nan | ||
134132917 | 145015 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1461 | 41 | 17 | 21 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NCC(O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3911213 | 145015 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1461 | 41 | 17 | 21 | -3.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NCC(O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
87217490 | 148992 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1473 | 41 | 16 | 20 | -3.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3942500 | 148992 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1473 | 41 | 16 | 20 | -3.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
16155708 | 150747 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1445 | 39 | 16 | 20 | -2.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
CHEMBL3956486 | 150747 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1445 | 39 | 16 | 20 | -2.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)C)C(N)=O | nan | ||
134155469 | 151141 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1545 | 52 | 19 | 23 | -6.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL3959635 | 151141 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1545 | 52 | 19 | 23 | -6.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O | nan | ||
CHEMBL2373078 | 210341 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
134156538 | 153660 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1610 | 48 | 17 | 23 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
CHEMBL3981343 | 153660 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1610 | 48 | 17 | 23 | -4.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(C)C)C(N)=O | nan | ||
90663989 | 106791 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1846 | 38 | 20 | 24 | 5.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||
CHEMBL3144558 | 106791 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1846 | 38 | 20 | 24 | 5.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||
CHEMBL2373066 | 210333 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(C)C)C(N)=O | 10.1021/jm010519l | ||||
612 | 1763 | 0 | None | 1 | 5 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
CHEMBL413196 | 1763 | 0 | None | 1 | 5 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
101835328 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | ||||
16133800 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | ||||
16201612 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | ||||
616 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | ||||
91898967 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | ||||
CHEMBL437027 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | ||||
DB11724 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(96)00481-7 | ||||
101835328 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
16133800 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
16201612 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
616 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
91898967 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
CHEMBL437027 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
DB11724 | 701 | 41 | None | 2 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(98)00462-4 | ||||
118728504 | 117676 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1501 | 43 | 15 | 18 | -1.0 | CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(NC(=O)Cn2cc(C[N+](C)(C)C[B-](F)(F)F)nn2)CC1)C(C)C)C(N)=O | 10.1016/j.bmc.2015.02.009 | ||
CHEMBL3401466 | 117676 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1501 | 43 | 15 | 18 | -1.0 | CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(NC(=O)Cn2cc(C[N+](C)(C)C[B-](F)(F)F)nn2)CC1)C(C)C)C(N)=O | 10.1016/j.bmc.2015.02.009 | ||
CHEMBL269432 | 210765 | 0 | None | 2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)C(C)C | 10.1016/0960-894X(96)00481-7 | ||||
CHEMBL314375 | 211157 | 0 | None | 2 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)C(N)=O | 10.1016/s0960-894x(98)00462-4 | ||||
CHEMBL525577 | 215630 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O | 10.1016/j.bmcl.2008.09.033 | ||||
10510344 | 106556 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1081 | 29 | 12 | 12 | -0.5 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O | 10.1021/jm990942i | ||
CHEMBL3142382 | 106556 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1081 | 29 | 12 | 12 | -0.5 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O | 10.1021/jm990942i | ||
10011407 | 106547 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1082 | 29 | 12 | 12 | 0.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O)C(N)=O | 10.1021/jm990942i | ||
CHEMBL3142372 | 106547 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1082 | 29 | 12 | 12 | 0.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O)C(N)=O | 10.1021/jm990942i | ||
44321085 | 206280 | 0 | None | -40 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 509 | 8 | 4 | 3 | 5.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL87079 | 206280 | 0 | None | -40 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 509 | 8 | 4 | 3 | 5.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321037 | 206830 | 1 | None | -42 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 577 | 8 | 4 | 3 | 6.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL90614 | 206830 | 1 | None | -42 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 577 | 8 | 4 | 3 | 6.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321035 | 206692 | 0 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL89813 | 206692 | 0 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
90662939 | 106554 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 983 | 25 | 12 | 12 | -1.0 | CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(=O)NO | 10.1021/jm990942i | ||
CHEMBL3142380 | 106554 | 0 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 983 | 25 | 12 | 12 | -1.0 | CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(=O)NO | 10.1021/jm990942i | ||
90662938 | 106552 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 984 | 25 | 12 | 12 | -0.2 | CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O)C(=O)NO | 10.1021/jm990942i | ||
CHEMBL3142379 | 106552 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 984 | 25 | 12 | 12 | -0.2 | CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O)C(=O)NO | 10.1021/jm990942i | ||
44321084 | 107098 | 0 | None | -52 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 543 | 8 | 4 | 3 | 6.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL316085 | 107098 | 0 | None | -52 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 543 | 8 | 4 | 3 | 6.4 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
21255267 | 111622 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 516 | 9 | 3 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | ||
CHEMBL328591 | 111622 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 516 | 9 | 3 | 2 | 7.2 | CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1 | 10.1016/0960-894X(96)00481-7 | ||
621 | 3013 | 29 | None | -125 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10.1016/s0960-894x(98)00462-4 | ||
9937534 | 3013 | 29 | None | -125 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL329650 | 3013 | 29 | None | -125 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10.1016/s0960-894x(98)00462-4 | ||
10653678 | 79635 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1053 | 29 | 12 | 12 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O | 10.1021/jm990942i | ||
CHEMBL2115179 | 79635 | 0 | None | - | 1 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1053 | 29 | 12 | 12 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O)C(N)=O | 10.1021/jm990942i | ||
44315891 | 157092 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1032 | 28 | 12 | 11 | 1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc2ccccc2)cc1)C(N)=O | 10.1021/jm990942i | ||
CHEMBL407481 | 157092 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1032 | 28 | 12 | 11 | 1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc2ccccc2)cc1)C(N)=O | 10.1021/jm990942i | ||
44321157 | 206417 | 0 | None | -29 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 9 | 4 | 3 | 6.8 | CC(C)c1ccc(NC(=O)N[C@@](C)(Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccn3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL88010 | 206417 | 0 | None | -29 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 551 | 9 | 4 | 3 | 6.8 | CC(C)c1ccc(NC(=O)N[C@@](C)(Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccccn3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
10418476 | 106550 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 983 | 25 | 10 | 12 | 0.4 | COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O | 10.1021/jm990942i | ||
CHEMBL3142377 | 106550 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 983 | 25 | 10 | 12 | 0.4 | COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O | 10.1021/jm990942i | ||
CHEMBL269024 | 210750 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(N)=O | 10.1021/jm990942i | ||||
44321006 | 105924 | 0 | None | -8 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 10 | 4 | 5 | 6.2 | COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL312926 | 105924 | 0 | None | -8 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 583 | 10 | 4 | 5 | 6.2 | COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
90662940 | 106555 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1012 | 28 | 11 | 11 | 1.8 | CCCCC(O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O | 10.1021/jm990942i | ||
CHEMBL3142381 | 106555 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1012 | 28 | 11 | 11 | 1.8 | CCCCC(O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)CCc2ccc(O)cc2)C1=O | 10.1021/jm990942i | ||
44315890 | 161853 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1032 | 28 | 12 | 11 | 1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc2ccccc2)c1)C(N)=O | 10.1021/jm990942i | ||
CHEMBL415022 | 161853 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1032 | 28 | 12 | 11 | 1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc2ccccc2)c1)C(N)=O | 10.1021/jm990942i | ||
44321158 | 206392 | 0 | None | -51 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 569 | 9 | 5 | 5 | 5.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(O)cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL87846 | 206392 | 0 | None | -51 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 569 | 9 | 5 | 5 | 5.9 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc(O)cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321244 | 206038 | 0 | None | -75 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 613 | 11 | 4 | 6 | 6.2 | COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1OC | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL85400 | 206038 | 0 | None | -75 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 613 | 11 | 4 | 6 | 6.2 | COc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1OC | 10.1016/s0960-894x(98)00462-4 | ||
44321117 | 105945 | 0 | None | -22 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 595 | 10 | 4 | 4 | 7.3 | CC(C)c1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL313030 | 105945 | 0 | None | -22 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 595 | 10 | 4 | 4 | 7.3 | CC(C)c1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
44321034 | 111486 | 0 | None | -114 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 534 | 8 | 4 | 4 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(C#N)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL327840 | 111486 | 0 | None | -114 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 534 | 8 | 4 | 4 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(C#N)cc1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321036 | 206683 | 0 | None | -120 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 583 | 10 | 4 | 5 | 6.2 | COc1ccccc1C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL89734 | 206683 | 0 | None | -120 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 583 | 10 | 4 | 5 | 6.2 | COc1ccccc1C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
10629787 | 106546 | 0 | None | - | 1 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 983 | 25 | 10 | 12 | -0.3 | COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O | 10.1021/jm990942i | ||
CHEMBL3142371 | 106546 | 0 | None | - | 1 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 983 | 25 | 10 | 12 | -0.3 | COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O | 10.1021/jm990942i | ||
44321245 | 206029 | 0 | None | -9 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 597 | 11 | 4 | 5 | 6.6 | CCOc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL85291 | 206029 | 0 | None | -9 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 597 | 11 | 4 | 5 | 6.6 | CCOc1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
90662937 | 106551 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1204 | 30 | 12 | 13 | 1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)N=C(c2ccccc2)c2ccccc21)C(N)=O | 10.1021/jm990942i | ||
CHEMBL3142378 | 106551 | 0 | None | - | 1 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1204 | 30 | 12 | 13 | 1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)N=C(c2ccccc2)c2ccccc21)C(N)=O | 10.1021/jm990942i | ||
CHEMBL403317 | 212507 | 27 | None | -831 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O | 10.1016/s0960-894x(98)00462-4 | ||||
44321212 | 111401 | 0 | None | -21 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 598 | 10 | 4 | 6 | 6.1 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc([N+](=O)[O-])cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL327388 | 111401 | 0 | None | -21 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 598 | 10 | 4 | 6 | 6.1 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccc([N+](=O)[O-])cc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44315534 | 161737 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1032 | 28 | 12 | 11 | 1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O | 10.1021/jm990942i | ||
CHEMBL413938 | 161737 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1032 | 28 | 12 | 11 | 1.3 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccccc1NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O | 10.1021/jm990942i | ||
44321246 | 106039 | 0 | None | -87 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL313346 | 106039 | 0 | None | -87 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321083 | 111451 | 0 | None | -40 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 577 | 8 | 4 | 3 | 7.0 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL327678 | 111451 | 0 | None | -40 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 577 | 8 | 4 | 3 | 7.0 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NCC1(c2ccccn2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
44321211 | 206156 | 0 | None | -229 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 553 | 9 | 4 | 4 | 6.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccccc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL86370 | 206156 | 0 | None | -229 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 553 | 9 | 4 | 4 | 6.2 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(c2ccccc2)CCCCC1 | 10.1016/s0960-894x(98)00462-4 | ||
90662936 | 106549 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1011 | 28 | 11 | 11 | 1.1 | CCCCC(O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O | 10.1021/jm990942i | ||
CHEMBL3142376 | 106549 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1011 | 28 | 11 | 11 | 1.1 | CCCCC(O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc2ccccc2)C1=O | 10.1021/jm990942i | ||
44321039 | 168139 | 0 | None | -16 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 596 | 10 | 4 | 5 | 6.3 | CN(C)c1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
CHEMBL433143 | 168139 | 0 | None | -16 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 596 | 10 | 4 | 5 | 6.3 | CN(C)c1ccc(C2(CNC(=O)[C@](C)(Cc3c[nH]c4ccccc34)NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 | 10.1016/s0960-894x(98)00462-4 | ||
11262 | 381 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 525 | 9 | 4 | 4 | 5.3 | COc1ccc(cc1)NC(=O)N[C@@H](C(=O)NCC1(CCCCC1)c1cccnc1)Cc1c[nH]c2c1cccc2 | 28785244 | ||
122181321 | 381 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 525 | 9 | 4 | 4 | 5.3 | COc1ccc(cc1)NC(=O)N[C@@H](C(=O)NCC1(CCCCC1)c1cccnc1)Cc1c[nH]c2c1cccc2 | 28785244 | ||
CHEMBL3590072 | 381 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 525 | 9 | 4 | 4 | 5.3 | COc1ccc(cc1)NC(=O)N[C@@H](C(=O)NCC1(CCCCC1)c1cccnc1)Cc1c[nH]c2c1cccc2 | 28785244 | ||
6184 | 1310 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
6181 | 1465 | 0 | None | - | 1 | Rat | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
155817490 | 2294 | 0 | None | 23 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
155817490 | 2294 | 0 | None | 23 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
6168 | 2294 | 0 | None | 23 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
6168 | 2294 | 0 | None | 23 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
4345957 | 2748 | 0 | None | -389 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
613 | 2748 | 0 | None | -389 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
155817489 | 3093 | 0 | None | -5 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
155817489 | 3093 | 0 | None | -5 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
6166 | 3093 | 0 | None | -5 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
6166 | 3093 | 0 | None | -5 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
635 | 1438 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
4345957 | 2748 | 0 | None | -154 | 4 | Mouse | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
613 | 2748 | 0 | None | -154 | 4 | Mouse | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
4345957 | 2748 | 0 | None | -89 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
4345957 | 2748 | 0 | None | -89 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
613 | 2748 | 0 | None | -89 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
613 | 2748 | 0 | None | -89 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
612 | 1763 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
612 | 1763 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
612 | 1763 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
CHEMBL413196 | 1763 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
CHEMBL413196 | 1763 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 21729729 | ||||
CHEMBL413196 | 1763 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
3840 | 1469 | 0 | None | -263 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
155817488 | 3302 | 0 | None | 14 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
155817488 | 3302 | 0 | None | 14 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
57340152 | 3302 | 0 | None | 14 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
57340152 | 3302 | 0 | None | 14 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
6165 | 3302 | 0 | None | 14 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
6165 | 3302 | 0 | None | 14 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
621 | 3013 | 29 | None | -125 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10454496 | ||
9937534 | 3013 | 29 | None | -125 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10454496 | ||
CHEMBL329650 | 3013 | 29 | None | -125 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10454496 | ||
6178 | 2750 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
6178 | 2750 | 0 | None | - | 1 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
612 | 1763 | 0 | None | -12 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
612 | 1763 | 0 | None | -12 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
CHEMBL413196 | 1763 | 0 | None | -12 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
CHEMBL413196 | 1763 | 0 | None | -12 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
632 | 1466 | 0 | None | -12 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
632 | 1466 | 0 | None | -12 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 31743956 | ||||
6180 | 1467 | 0 | None | 1000 | 2 | Rat | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
101835328 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
101835328 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
16133800 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
16133800 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
16201612 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
16201612 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
616 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
616 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
91898967 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
91898967 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
CHEMBL437027 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
CHEMBL437027 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
DB11724 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
DB11724 | 701 | 41 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
629 | 2288 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
615 | 3080 | 0 | None | -9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
6182 | 1468 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
14235547 | 2315 | 0 | None | 1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
14235547 | 2315 | 0 | None | 1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
617 | 2315 | 0 | None | 1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
617 | 2315 | 0 | None | 1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
101835328 | 701 | 41 | None | -3 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
16133800 | 701 | 41 | None | -3 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
16201612 | 701 | 41 | None | -3 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
616 | 701 | 41 | None | -3 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
91898967 | 701 | 41 | None | -3 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
CHEMBL437027 | 701 | 41 | None | -3 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
DB11724 | 701 | 41 | None | -3 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
101835328 | 701 | 41 | None | -2 | 5 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
16133800 | 701 | 41 | None | -2 | 5 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
16201612 | 701 | 41 | None | -2 | 5 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
616 | 701 | 41 | None | -2 | 5 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
91898967 | 701 | 41 | None | -2 | 5 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
CHEMBL437027 | 701 | 41 | None | -2 | 5 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
DB11724 | 701 | 41 | None | -2 | 5 | Mouse | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 7838118 | ||||
22146595 | 3265 | 0 | None | 6 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
22146595 | 3265 | 0 | None | 6 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
618 | 3265 | 0 | None | 6 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
618 | 3265 | 0 | None | 6 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
612 | 1763 | 0 | None | -1 | 5 | Mouse | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
CHEMBL413196 | 1763 | 0 | None | -1 | 5 | Mouse | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
626 | 3014 | 40 | None | -5 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 9873586 | ||
9829828 | 3014 | 40 | None | -5 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 9873586 | ||
CHEMBL405908 | 3014 | 40 | None | -5 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 584 | 10 | 4 | 6 | 5.6 | COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C | 9873586 | ||
615 | 3080 | 0 | None | 9 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
615 | 3080 | 0 | None | 9 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9325344 | ||||
11434 | 1492 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 31743956 | ||||
3840 | 1469 | 0 | None | 263 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | None | None | None | None | 19463875 | ||||
635 | 1438 | 0 | None | -87 | 3 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 | ||||
6180 | 1467 | 0 | None | -1000 | 2 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10454496 | ||||
6185 | 1471 | 0 | None | - | 1 | Rat | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10353842 |