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 |
137642989 | 165014 | 0 | None | 5 | 4 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 1166 | 35 | 16 | 13 | -2.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4088263 | 165014 | 0 | None | 5 | 4 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 1166 | 35 | 16 | 13 | -2.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137635007 | 162756 | 0 | None | 10 | 4 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 1209 | 36 | 17 | 15 | -2.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4061507 | 162756 | 0 | None | 10 | 4 | Mouse | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 1209 | 36 | 17 | 15 | -2.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137640682 | 163831 | 0 | None | 7 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1156 | 36 | 18 | 14 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4073946 | 163831 | 0 | None | 7 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1156 | 36 | 18 | 14 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137633449 | 163368 | 0 | None | 3 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1237 | 35 | 17 | 15 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4068681 | 163368 | 0 | None | 3 | 4 | Mouse | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1237 | 35 | 17 | 15 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137646678 | 164465 | 0 | None | 2 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1275 | 36 | 17 | 15 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4081760 | 164465 | 0 | None | 2 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1275 | 36 | 17 | 15 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137652696 | 165741 | 0 | None | 3 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1182 | 35 | 17 | 14 | -2.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4095998 | 165741 | 0 | None | 3 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1182 | 35 | 17 | 14 | -2.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137660871 | 165922 | 0 | None | 1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1168 | 34 | 17 | 14 | -3.3 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4098010 | 165922 | 0 | None | 1 | 4 | Mouse | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 1168 | 34 | 17 | 14 | -3.3 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137640690 | 163850 | 0 | None | 1 | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1288 | 35 | 17 | 15 | -1.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4074121 | 163850 | 0 | None | 1 | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1288 | 35 | 17 | 15 | -1.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
87415277 | 162904 | 0 | None | 1 | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1287 | 35 | 17 | 15 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4063341 | 162904 | 0 | None | 1 | 4 | Mouse | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1287 | 35 | 17 | 15 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137660871 | 165922 | 0 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1168 | 34 | 17 | 14 | -3.3 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4098010 | 165922 | 0 | None | -1 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1168 | 34 | 17 | 14 | -3.3 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137646678 | 164465 | 0 | None | -2 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1275 | 36 | 17 | 15 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4081760 | 164465 | 0 | None | -2 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1275 | 36 | 17 | 15 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137652435 | 164309 | 0 | None | 2 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1148 | 36 | 17 | 14 | -3.0 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4079986 | 164309 | 0 | None | 2 | 4 | Mouse | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1148 | 36 | 17 | 14 | -3.0 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL3356083 | 218340 | 12 | None | 2 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||||
137640690 | 163850 | 0 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1288 | 35 | 17 | 15 | -1.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4074121 | 163850 | 0 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1288 | 35 | 17 | 15 | -1.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
87415277 | 162904 | 0 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1287 | 35 | 17 | 15 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4063341 | 162904 | 0 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1287 | 35 | 17 | 15 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137636908 | 162940 | 0 | None | 2 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1188 | 35 | 17 | 14 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4063830 | 162940 | 0 | None | 2 | 4 | Mouse | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1188 | 35 | 17 | 14 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL3758577 | 219004 | 0 | None | 2 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||||
137633449 | 163368 | 0 | None | -3 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1237 | 35 | 17 | 15 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4068681 | 163368 | 0 | None | -3 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1237 | 35 | 17 | 15 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137642989 | 165014 | 0 | None | -9 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1166 | 35 | 16 | 13 | -2.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4088263 | 165014 | 0 | None | -9 | 4 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1166 | 35 | 16 | 13 | -2.6 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137637194 | 162567 | 0 | None | 1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1183 | 35 | 17 | 15 | -3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4059530 | 162567 | 0 | None | 1 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1183 | 35 | 17 | 15 | -3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137643754 | 165203 | 0 | None | 1 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1331 | 39 | 18 | 15 | -1.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4090300 | 165203 | 0 | None | 1 | 4 | Mouse | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1331 | 39 | 18 | 15 | -1.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL3759452 | 219010 | 0 | None | 1 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||||
137635007 | 162756 | 0 | None | -10 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1209 | 36 | 17 | 15 | -2.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4061507 | 162756 | 0 | None | -10 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1209 | 36 | 17 | 15 | -2.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137637194 | 162567 | 0 | None | -1 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1183 | 35 | 17 | 15 | -3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4059530 | 162567 | 0 | None | -1 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1183 | 35 | 17 | 15 | -3.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
87415284 | 165332 | 0 | None | 1 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1232 | 35 | 17 | 14 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4091611 | 165332 | 0 | None | 1 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1232 | 35 | 17 | 14 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137643907 | 164976 | 0 | None | 1 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1154 | 34 | 15 | 14 | -2.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4087867 | 164976 | 0 | None | 1 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1154 | 34 | 15 | 14 | -2.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL3356083 | 218340 | 12 | None | -2 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||||
137660286 | 166173 | 0 | None | 1 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1467 | 51 | 18 | 19 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4100718 | 166173 | 0 | None | 1 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1467 | 51 | 18 | 19 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137640682 | 163831 | 0 | None | -7 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1156 | 36 | 18 | 14 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4073946 | 163831 | 0 | None | -7 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1156 | 36 | 18 | 14 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137643754 | 165203 | 0 | None | -1 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1331 | 39 | 18 | 15 | -1.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4090300 | 165203 | 0 | None | -1 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1331 | 39 | 18 | 15 | -1.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL3356083 | 218340 | 12 | None | -2 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.bmcl.2017.09.019 | ||||
137652435 | 164309 | 0 | None | -2 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1148 | 36 | 17 | 14 | -3.0 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4079986 | 164309 | 0 | None | -2 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1148 | 36 | 17 | 14 | -3.0 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL3356083 | 218340 | 12 | None | 2 | 4 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.bmcl.2017.09.019 | ||||
137636908 | 162940 | 0 | None | -2 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1188 | 35 | 17 | 14 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4063830 | 162940 | 0 | None | -2 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1188 | 35 | 17 | 14 | -2.2 | CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137643907 | 164976 | 0 | None | -1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1154 | 34 | 15 | 14 | -2.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4087867 | 164976 | 0 | None | -1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1154 | 34 | 15 | 14 | -2.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
87415284 | 165332 | 0 | None | -1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1232 | 35 | 17 | 14 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4091611 | 165332 | 0 | None | -1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1232 | 35 | 17 | 14 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137643044 | 165137 | 0 | None | 1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1174 | 34 | 17 | 14 | -2.6 | CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4089636 | 165137 | 0 | None | 1 | 4 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 1174 | 34 | 17 | 14 | -2.6 | CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137662007 | 165863 | 0 | None | 1 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1189 | 35 | 17 | 15 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4097355 | 165863 | 0 | None | 1 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1189 | 35 | 17 | 15 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137643044 | 165137 | 0 | None | -1 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1174 | 34 | 17 | 14 | -2.6 | CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4089636 | 165137 | 0 | None | -1 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1174 | 34 | 17 | 14 | -2.6 | CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
88563444 | 166090 | 0 | None | 1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1262 | 39 | 17 | 14 | -0.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4099780 | 166090 | 0 | None | 1 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1262 | 39 | 17 | 14 | -0.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137652696 | 165741 | 0 | None | -8 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1182 | 35 | 17 | 14 | -2.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4095998 | 165741 | 0 | None | -8 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1182 | 35 | 17 | 14 | -2.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
145972936 | 169874 | 0 | None | -1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1181 | 33 | 16 | 13 | -1.6 | CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4177021 | 169874 | 0 | None | -1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1181 | 33 | 16 | 13 | -1.6 | CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
10260704 | 169419 | 0 | None | -3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4169726 | 169419 | 0 | None | -3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
10260704 | 169419 | 0 | None | -3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169726 | 169419 | 0 | None | -3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
137660286 | 166173 | 0 | None | -1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1467 | 51 | 18 | 19 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4100718 | 166173 | 0 | None | -1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1467 | 51 | 18 | 19 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137654882 | 165375 | 0 | None | 2 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1950 | 76 | 21 | 22 | 4.9 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4092080 | 165375 | 0 | None | 2 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1950 | 76 | 21 | 22 | 4.9 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL3315349 | 218159 | 3 | None | -25 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||||
137636174 | 162781 | 0 | None | 3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1930 | 74 | 21 | 22 | 3.8 | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4061906 | 162781 | 0 | None | 3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1930 | 74 | 21 | 22 | 3.8 | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
88563444 | 166090 | 0 | None | -1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1262 | 39 | 17 | 14 | -0.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4099780 | 166090 | 0 | None | -1 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1262 | 39 | 17 | 14 | -0.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137640394 | 163492 | 0 | None | 5 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1233 | 35 | 17 | 15 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4070175 | 163492 | 0 | None | 5 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1233 | 35 | 17 | 15 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
145949890 | 169598 | 0 | None | -1 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1139 | 32 | 16 | 13 | -1.8 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4172552 | 169598 | 0 | None | -1 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1139 | 32 | 16 | 13 | -1.8 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
137645284 | 164471 | 0 | None | 2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1936 | 76 | 21 | 22 | 4.6 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4081819 | 164471 | 0 | None | 2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1936 | 76 | 21 | 22 | 4.6 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL3315349 | 218159 | 3 | None | -25 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/ml500494j | ||||
137652739 | 165369 | 0 | None | 2 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1207 | 37 | 18 | 16 | -4.9 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4092033 | 165369 | 0 | None | 2 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1207 | 37 | 18 | 16 | -4.9 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137638792 | 163598 | 0 | None | 10 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1204 | 34 | 15 | 14 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4071218 | 163598 | 0 | None | 10 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1204 | 34 | 15 | 14 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137662007 | 165863 | 0 | None | -1 | 4 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1189 | 35 | 17 | 15 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4097355 | 165863 | 0 | None | -1 | 4 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1189 | 35 | 17 | 15 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137635179 | 162618 | 0 | None | 60 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1164 | 36 | 18 | 15 | -4.3 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4060027 | 162618 | 0 | None | 60 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1164 | 36 | 18 | 15 | -4.3 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137634038 | 163421 | 0 | None | 3 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1219 | 36 | 18 | 16 | -4.7 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4069256 | 163421 | 0 | None | 3 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1219 | 36 | 18 | 16 | -4.7 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137660608 | 165868 | 0 | None | 2 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1986 | 73 | 21 | 22 | 4.3 | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4097408 | 165868 | 0 | None | 2 | 4 | Mouse | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 1986 | 73 | 21 | 22 | 4.3 | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137647003 | 164620 | 0 | None | 1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1958 | 76 | 21 | 22 | 4.5 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4083670 | 164620 | 0 | None | 1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1958 | 76 | 21 | 22 | 4.5 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137640722 | 163802 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1812 | 61 | 23 | 20 | 0.9 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4073508 | 163802 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1812 | 61 | 23 | 20 | 0.9 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137657622 | 166439 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 2027 | 69 | 27 | 24 | -1.8 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4103826 | 166439 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 2027 | 69 | 27 | 24 | -1.8 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
145956751 | 168928 | 0 | None | -2 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1187 | 33 | 15 | 12 | -0.8 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4161902 | 168928 | 0 | None | -2 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1187 | 33 | 15 | 12 | -0.8 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
137647003 | 164620 | 0 | None | -1 | 2 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1958 | 76 | 21 | 22 | 4.5 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4083670 | 164620 | 0 | None | -1 | 2 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1958 | 76 | 21 | 22 | 4.5 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137644441 | 165054 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 2098 | 71 | 28 | 25 | -2.3 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4088810 | 165054 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 2098 | 71 | 28 | 25 | -2.3 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137647843 | 164378 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1894 | 77 | 18 | 23 | 4.1 | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4080881 | 164378 | 0 | None | 2 | 4 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 1894 | 77 | 18 | 23 | 4.1 | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
137636135 | 162691 | 0 | None | 5 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1874 | 70 | 21 | 22 | 2.2 | CCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4060830 | 162691 | 0 | None | 5 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1874 | 70 | 21 | 22 | 2.2 | CCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
145953723 | 169421 | 0 | None | 3 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1207 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169739 | 169421 | 0 | None | 3 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1207 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
137654882 | 165375 | 0 | None | -2 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1950 | 76 | 21 | 22 | 4.9 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4092080 | 165375 | 0 | None | -2 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1950 | 76 | 21 | 22 | 4.9 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137652197 | 164269 | 0 | None | 2 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1940 | 66 | 25 | 22 | -0.3 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4079565 | 164269 | 0 | None | 2 | 4 | Mouse | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1940 | 66 | 25 | 22 | -0.3 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4299242 | 220329 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||||
137636135 | 162691 | 0 | None | -5 | 2 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 1874 | 70 | 21 | 22 | 2.2 | CCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4060830 | 162691 | 0 | None | -5 | 2 | Mouse | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 1874 | 70 | 21 | 22 | 2.2 | CCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
145973626 | 169872 | 0 | None | 7 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1165 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4176945 | 169872 | 0 | None | 7 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1165 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
126558991 | 144522 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1371 | 50 | 17 | 14 | 1.4 | CCCCCCCCCCCCCCCCNC(=O)CNCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
CHEMBL3759206 | 144522 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1371 | 50 | 17 | 14 | 1.4 | CCCCCCCCCCCCCCCCNC(=O)CNCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
CHEMBL4299263 | 220335 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCSCc1cc2cc(c1)CSC[C@@H](C(N)=O)NC(=O)CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CSC2 | 10.1016/j.ejmech.2015.07.020 | ||||
127027325 | 144484 | 0 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 1595 | 65 | 16 | 14 | 7.6 | CCCCCCCCCCCCCCCCNC(=O)CN(CCCCCCCCCCCCCCCC)CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
CHEMBL3758845 | 144484 | 0 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 1595 | 65 | 16 | 14 | 7.6 | CCCCCCCCCCCCCCCCNC(=O)CN(CCCCCCCCCCCCCCCC)CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
127026380 | 144589 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1271 | 45 | 15 | 12 | 2.7 | CCCCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
CHEMBL3759714 | 144589 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 1271 | 45 | 15 | 12 | 2.7 | CCCCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
CHEMBL4299250 | 220331 | 0 | None | 1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(N)=O)C(=O)NC(C)(C)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||||
13920665 | 169103 | 0 | None | 2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4164680 | 169103 | 0 | None | 2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
137639361 | 163576 | 0 | None | 4 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1512 | 50 | 16 | 15 | 4.6 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4071009 | 163576 | 0 | None | 4 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1512 | 50 | 16 | 15 | 4.6 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
145956001 | 169400 | 0 | None | -5 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1111 | 32 | 15 | 13 | -2.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169433 | 169400 | 0 | None | -5 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1111 | 32 | 15 | 13 | -2.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1 | 10.1016/j.ejmech.2017.12.035 | ||
137646480 | 164528 | 0 | None | 6 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1134 | 35 | 17 | 14 | -3.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4082455 | 164528 | 0 | None | 6 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1134 | 35 | 17 | 14 | -3.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
145950926 | 169537 | 0 | None | -9 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1153 | 33 | 15 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4171697 | 169537 | 0 | None | -9 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1153 | 33 | 15 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1 | 10.1016/j.ejmech.2017.12.035 | ||
145954330 | 169296 | 0 | None | -134 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1155 | 32 | 17 | 14 | -2.1 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4167677 | 169296 | 0 | None | -134 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1155 | 32 | 17 | 14 | -2.1 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145951684 | 169728 | 0 | None | -29 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1165 | 30 | 15 | 13 | -2.0 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4174679 | 169728 | 0 | None | -29 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1165 | 30 | 15 | 13 | -2.0 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145957679 | 168875 | 0 | None | -5 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1127 | 32 | 16 | 14 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4161095 | 168875 | 0 | None | -5 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1127 | 32 | 16 | 14 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL3356082 | 218339 | 0 | None | 2 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm500599s | ||||
145959164 | 168902 | 0 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1157 | 30 | 15 | 13 | -1.8 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4161501 | 168902 | 0 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1157 | 30 | 15 | 13 | -1.8 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
145955290 | 169358 | 0 | None | -64 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1181 | 30 | 16 | 14 | -2.3 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4168753 | 169358 | 0 | None | -64 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1181 | 30 | 16 | 14 | -2.3 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145954208 | 169460 | 0 | None | -1698 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1225 | 33 | 17 | 14 | -1.3 | CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4170275 | 169460 | 0 | None | -1698 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1225 | 33 | 17 | 14 | -1.3 | CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
137645284 | 164471 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1936 | 76 | 21 | 22 | 4.6 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4081819 | 164471 | 0 | None | -2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 1936 | 76 | 21 | 22 | 4.6 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
156020813 | 184829 | 2 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 849 | 26 | 11 | 10 | -1.2 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.bmc.2020.115454 | ||
CHEMBL4647192 | 184829 | 2 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 849 | 26 | 11 | 10 | -1.2 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.bmc.2020.115454 | ||
137652739 | 165369 | 0 | None | -2 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1207 | 37 | 18 | 16 | -4.9 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4092033 | 165369 | 0 | None | -2 | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1207 | 37 | 18 | 16 | -4.9 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL3315349 | 218159 | 3 | None | -25 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm500599s | ||||
117072558 | 7908 | 0 | None | -30 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)Cc1ccc(cc1)F | 10.1021/ml500494j | ||||
9008 | 7908 | 0 | None | -30 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)Cc1ccc(cc1)F | 10.1021/ml500494j | ||||
CHEMBL3425593 | 7908 | 0 | None | -30 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)Cc1ccc(cc1)F | 10.1021/ml500494j | ||||
137636174 | 162781 | 0 | None | -3 | 2 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1930 | 74 | 21 | 22 | 3.8 | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4061906 | 162781 | 0 | None | -3 | 2 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1930 | 74 | 21 | 22 | 3.8 | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
145958420 | 168873 | 0 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4161037 | 168873 | 0 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145950907 | 169510 | 0 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1195 | 31 | 15 | 14 | -2.0 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4171236 | 169510 | 0 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 1195 | 31 | 15 | 14 | -2.0 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145958151 | 168862 | 0 | None | -81 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1161 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4160825 | 168862 | 0 | None | -81 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1161 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145974338 | 169867 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1068 | 29 | 13 | 12 | -1.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4176785 | 169867 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1068 | 29 | 13 | 12 | -1.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145960563 | 169155 | 0 | None | -74 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1203 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4165337 | 169155 | 0 | None | -74 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1203 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
13920670 | 169371 | 0 | None | -5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4168961 | 169371 | 0 | None | -5 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145952841 | 169427 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1167 | 34 | 15 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169824 | 169427 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1167 | 34 | 15 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
127026692 | 144581 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1442 | 46 | 20 | 17 | -1.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
CHEMBL3759626 | 144581 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1442 | 46 | 20 | 17 | -1.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
145953216 | 169335 | 0 | None | -29 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1169 | 33 | 16 | 14 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4168351 | 169335 | 0 | None | -29 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1169 | 33 | 16 | 14 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1 | 10.1016/j.ejmech.2017.12.035 | ||
137646480 | 164528 | 0 | None | -22 | 3 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1134 | 35 | 17 | 14 | -3.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4082455 | 164528 | 0 | None | -22 | 3 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1134 | 35 | 17 | 14 | -3.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
145959870 | 168787 | 0 | None | -8 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1243 | 35 | 16 | 13 | -0.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)NCc1ccccc1)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4159554 | 168787 | 0 | None | -8 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1243 | 35 | 16 | 13 | -0.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)NCc1ccccc1)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
127025171 | 144549 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1380 | 46 | 20 | 17 | -2.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
CHEMBL3759408 | 144549 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 1380 | 46 | 20 | 17 | -2.7 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||
137660608 | 165868 | 0 | None | -2 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1986 | 73 | 21 | 22 | 4.3 | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4097408 | 165868 | 0 | None | -2 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1986 | 73 | 21 | 22 | 4.3 | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL3356083 | 218340 | 12 | None | 2 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm500599s | ||||
137644441 | 165054 | 0 | None | -2 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 2098 | 71 | 28 | 25 | -2.3 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4088810 | 165054 | 0 | None | -2 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 2098 | 71 | 28 | 25 | -2.3 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137636126 | 162674 | 0 | None | 11 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1168 | 35 | 16 | 13 | -1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4060571 | 162674 | 0 | None | 11 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1168 | 35 | 16 | 13 | -1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137640722 | 163802 | 0 | None | -2 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1812 | 61 | 23 | 20 | 0.9 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4073508 | 163802 | 0 | None | -2 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1812 | 61 | 23 | 20 | 0.9 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
145954222 | 169165 | 0 | None | -12 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1123 | 30 | 16 | 13 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4165538 | 169165 | 0 | None | -12 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 1123 | 30 | 16 | 13 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
137639547 | 163496 | 0 | None | 2 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 2014 | 75 | 21 | 22 | 5.1 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4070228 | 163496 | 0 | None | 2 | 4 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 2014 | 75 | 21 | 22 | 5.1 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137657622 | 166439 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 2027 | 69 | 27 | 24 | -1.8 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4103826 | 166439 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 2027 | 69 | 27 | 24 | -1.8 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137654963 | 165559 | 0 | None | 1 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1725 | 58 | 21 | 18 | 2.5 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4094147 | 165559 | 0 | None | 1 | 4 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1725 | 58 | 21 | 18 | 2.5 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137647843 | 164378 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1894 | 77 | 18 | 23 | 4.1 | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4080881 | 164378 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1894 | 77 | 18 | 23 | 4.1 | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
145958712 | 168950 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1179 | 31 | 16 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)CCc2ccccc2C1 | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4162351 | 168950 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1179 | 31 | 16 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)CCc2ccccc2C1 | 10.1021/acsmedchemlett.8b00105 | ||
102340758 | 120085 | 0 | None | 416 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL3315335 | 120085 | 0 | None | 416 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL3356083 | 218340 | 12 | None | -2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||||
CHEMBL3356083 | 218340 | 12 | None | -2 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||||
145971434 | 169783 | 0 | None | -208 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1203 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4175546 | 169783 | 0 | None | -208 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1203 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959730 | 168992 | 0 | None | -9 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1183 | 34 | 16 | 14 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4162868 | 168992 | 0 | None | -9 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1183 | 34 | 16 | 14 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
13920660 | 169201 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4166161 | 169201 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959590 | 169126 | 0 | None | 2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1243 | 35 | 16 | 13 | -0.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1 | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4164957 | 169126 | 0 | None | 2 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1243 | 35 | 16 | 13 | -0.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1 | 10.1021/acsmedchemlett.8b00105 | ||
145974070 | 169830 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1125 | 33 | 15 | 13 | -2.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4176206 | 169830 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 1125 | 33 | 15 | 13 | -2.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959831 | 169123 | 0 | None | -1548 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1197 | 33 | 17 | 14 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4164922 | 169123 | 0 | None | -1548 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1197 | 33 | 17 | 14 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145972185 | 169815 | 0 | None | -79 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1161 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4175953 | 169815 | 0 | None | -79 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1161 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959083 | 168762 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1141 | 33 | 16 | 14 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4159176 | 168762 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1141 | 33 | 16 | 14 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145951399 | 169613 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4172768 | 169613 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL3356082 | 218339 | 0 | None | -2 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||||
137642598 | 165293 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1150 | 35 | 18 | 15 | -4.7 | CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4091208 | 165293 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1150 | 35 | 18 | 15 | -4.7 | CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137652197 | 164269 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1940 | 66 | 25 | 22 | -0.3 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4079565 | 164269 | 0 | None | -2 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1940 | 66 | 25 | 22 | -0.3 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
145960270 | 169057 | 0 | None | 1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1145 | 32 | 15 | 12 | -1.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4164026 | 169057 | 0 | None | 1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1145 | 32 | 15 | 12 | -1.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
137640394 | 163492 | 0 | None | -5 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1233 | 35 | 17 | 15 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4070175 | 163492 | 0 | None | -5 | 3 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1233 | 35 | 17 | 15 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137634038 | 163421 | 0 | None | -3 | 2 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1219 | 36 | 18 | 16 | -4.7 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4069256 | 163421 | 0 | None | -3 | 2 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1219 | 36 | 18 | 16 | -4.7 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
137636126 | 162674 | 0 | None | -12 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1168 | 35 | 16 | 13 | -1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4060571 | 162674 | 0 | None | -12 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1168 | 35 | 16 | 13 | -1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
127029245 | 144600 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1476 | 51 | 16 | 15 | 2.3 | CCCCCCCCCCCCCCCCNC(=O)CN(CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(=O)c1cccnc1 | 10.1016/j.ejmech.2015.07.020 | ||
CHEMBL3759820 | 144600 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1476 | 51 | 16 | 15 | 2.3 | CCCCCCCCCCCCCCCCNC(=O)CN(CC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(=O)c1cccnc1 | 10.1016/j.ejmech.2015.07.020 | ||
145972641 | 169788 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1167 | 33 | 16 | 13 | -2.0 | CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4175581 | 169788 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 1167 | 33 | 16 | 13 | -2.0 | CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/acsmedchemlett.8b00105 | ||
137639361 | 163576 | 0 | None | -4 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1512 | 50 | 16 | 15 | 4.6 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4071009 | 163576 | 0 | None | -4 | 4 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 1512 | 50 | 16 | 15 | 4.6 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
145949312 | 169665 | 0 | None | 38 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1173 | 32 | 16 | 13 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4173583 | 169665 | 0 | None | 38 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1173 | 32 | 16 | 13 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145958000 | 168982 | 0 | None | -724 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1215 | 30 | 15 | 13 | -0.9 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4162728 | 168982 | 0 | None | -724 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1215 | 30 | 15 | 13 | -0.9 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145950548 | 169618 | 0 | None | -7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1115 | 29 | 15 | 13 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4172829 | 169618 | 0 | None | -7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1115 | 29 | 15 | 13 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
145953783 | 169208 | 0 | None | 14 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1215 | 33 | 16 | 13 | -1.3 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4166325 | 169208 | 0 | None | 14 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1215 | 33 | 16 | 13 | -1.3 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
137656685 | 166540 | 0 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1647 | 62 | 17 | 18 | 4.5 | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4105113 | 166540 | 0 | None | 1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1647 | 62 | 17 | 18 | 4.5 | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
145956177 | 169304 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1167 | 33 | 16 | 13 | -2.0 | CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4167803 | 169304 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1167 | 33 | 16 | 13 | -2.0 | CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145958189 | 168899 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1167 | 34 | 16 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4161479 | 168899 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1167 | 34 | 16 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL3758687 | 219005 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C)(C)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||||
145952282 | 169645 | 0 | None | -5 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1095 | 27 | 13 | 13 | -2.3 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4173224 | 169645 | 0 | None | -5 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1095 | 27 | 13 | 13 | -2.3 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
137654963 | 165559 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1725 | 58 | 21 | 18 | 2.5 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4094147 | 165559 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1725 | 58 | 21 | 18 | 2.5 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
145950449 | 169767 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4175315 | 169767 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
102340758 | 120085 | 0 | None | 416 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.bmc.2020.115454 | ||
CHEMBL3315335 | 120085 | 0 | None | 416 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.bmc.2020.115454 | ||
102340758 | 120085 | 0 | None | 416 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm500599s | ||
CHEMBL3315335 | 120085 | 0 | None | 416 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm500599s | ||
13920666 | 169575 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4172327 | 169575 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145955540 | 169385 | 0 | None | -27 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1139 | 29 | 16 | 14 | -2.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169169 | 169385 | 0 | None | -27 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 1139 | 29 | 16 | 14 | -2.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
137642468 | 164933 | 0 | None | -7 | 2 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1790 | 64 | 21 | 22 | -0.1 | CCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4087316 | 164933 | 0 | None | -7 | 2 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1790 | 64 | 21 | 22 | -0.1 | CCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4299249 | 220330 | 0 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCSCc1cc2cc(c1)CSC[C@@H](C(N)=O)NC(=O)CCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1Cc3ccccc3CN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CSC2 | 10.1016/j.ejmech.2015.07.020 | ||||
CHEMBL4299255 | 220334 | 0 | None | -1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCSCc1cc2cc(c1)CSC[C@H](C(N)=O)NC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H]3CCCC[C@@H]3N1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@H](N)CSC2 | 10.1016/j.ejmech.2015.07.020 | ||||
137639547 | 163496 | 0 | None | -2 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 2014 | 75 | 21 | 22 | 5.1 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4070228 | 163496 | 0 | None | -2 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 2014 | 75 | 21 | 22 | 5.1 | CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137656685 | 166540 | 0 | None | -1 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1647 | 62 | 17 | 18 | 4.5 | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4105113 | 166540 | 0 | None | -1 | 4 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1647 | 62 | 17 | 18 | 4.5 | CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
127025772 | 144435 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1434 | 46 | 20 | 17 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2015.07.020 | ||
CHEMBL3758417 | 144435 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 1434 | 46 | 20 | 17 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@@H](CS)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2015.07.020 | ||
137635179 | 162618 | 0 | None | -60 | 2 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1164 | 36 | 18 | 15 | -4.3 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4060027 | 162618 | 0 | None | -60 | 2 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1164 | 36 | 18 | 15 | -4.3 | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4299273 | 220336 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2015.07.020 | ||||
137642468 | 164933 | 0 | None | 7 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1790 | 64 | 21 | 22 | -0.1 | CCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4087316 | 164933 | 0 | None | 7 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1790 | 64 | 21 | 22 | -0.1 | CCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C)(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
118708073 | 120082 | 0 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 933 | 28 | 13 | 10 | -1.8 | CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm500599s | ||
CHEMBL3315278 | 120082 | 0 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 933 | 28 | 13 | 10 | -1.8 | CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm500599s | ||
137633990 | 163268 | 0 | None | -9 | 2 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1734 | 60 | 21 | 22 | -1.7 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(C)=O)CC1)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4067577 | 163268 | 0 | None | -9 | 2 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1734 | 60 | 21 | 22 | -1.7 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(C)=O)CC1)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
137633990 | 163268 | 0 | None | 9 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1734 | 60 | 21 | 22 | -1.7 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(C)=O)CC1)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4067577 | 163268 | 0 | None | 9 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1734 | 60 | 21 | 22 | -1.7 | CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(C)=O)CC1)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1016/j.bmcl.2017.09.019 | ||
137651400 | 163985 | 0 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1569 | 52 | 17 | 16 | 3.7 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4076016 | 163985 | 0 | None | 1 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1569 | 52 | 17 | 16 | 3.7 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137651400 | 163985 | 0 | None | -1 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1569 | 52 | 17 | 16 | 3.7 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
CHEMBL4076016 | 163985 | 0 | None | -1 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1569 | 52 | 17 | 16 | 3.7 | CCCCCCCCCCCCCCCCN1CCN(CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 | 10.1016/j.bmcl.2017.09.019 | ||
137638792 | 163598 | 0 | None | -10 | 2 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1204 | 34 | 15 | 14 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
CHEMBL4071218 | 163598 | 0 | None | -10 | 2 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 1204 | 34 | 15 | 14 | -1.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.7b00330 | ||
145959336 | 169128 | 0 | None | -87 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1179 | 30 | 14 | 13 | -1.7 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4164987 | 169128 | 0 | None | -87 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 1179 | 30 | 14 | 13 | -1.7 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145971940 | 169826 | 0 | None | 5 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4176146 | 169826 | 0 | None | 5 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
7172 | 123469 | 94 | None | 7 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | None | ||
CHEMBL33720 | 123469 | 94 | None | 7 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | None | ||
DB09203 | 123469 | 94 | None | 7 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | None | ||
5280805 | 92180 | 81 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
CHEMBL226335 | 92180 | 81 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | None | ||
10381 | 9674 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 345 | 7 | 3 | 2 | 3.5 | NC(=N)NCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 | 30151213 | ||
25020407 | 9674 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 345 | 7 | 3 | 2 | 3.5 | NC(=N)NCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 | 30151213 | ||
1468 | 9549 | 0 | None | -3 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | Guide to Pharmacology | None | None | None | None | 15635449 | ||||
101879981 | 7942 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 334 | 1 | 1 | 3 | 4.1 | Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F | 25262941 | ||
9010 | 7942 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 334 | 1 | 1 | 3 | 4.1 | Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F | 25262941 | ||
CHEMBL3343015 | 7942 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 334 | 1 | 1 | 3 | 4.1 | Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F | 25262941 | ||
7928 | 9812 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 22771182 | ||||
11490 | 7975 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 24999562 | ||||
7927 | 7913 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | NC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC1CCCCC1)CC(C)C)CCC(C)C | 24999562 | ||||
91623353 | 7913 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | NC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC1CCCCC1)CC(C)C)CCC(C)C | 24999562 | ||||
11491 | 7976 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 32247748 | ||||
7925 | 8694 | 0 | None | -1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 24222478 | ||||
1471 | 9554 | 0 | None | 1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1471 | 9554 | 0 | None | 1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1471 | 9554 | 0 | None | 1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1470 | 9555 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1470 | 9555 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1470 | 9555 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1470 | 9555 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 15331768 | ||||
1469 | 9552 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1469 | 9552 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1469 | 9552 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
10148412 | 9556 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
10148412 | 9556 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
10148412 | 9556 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1473 | 9556 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1473 | 9556 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1473 | 9556 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1476 | 9556 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1476 | 9556 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1476 | 9556 | 0 | None | -3 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
117072559 | 9607 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | None | None | None | CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@H](C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)(C)C | 26204509 | ||||
9009 | 9607 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | None | None | None | CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@H](C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)(C)C | 26204509 | ||||
1468 | 9549 | 0 | None | -3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | None | None | None | None | 15635449 | ||||
3524 | 10157 | 0 | None | - | 1 | Human | 7.0 | pKB | = | 7.0 | Functional | Guide to Pharmacology | 350 | 2 | 2 | 4 | 3.1 | O=C(Nc1ccccc1)Nc1cnc2c(c1)C[C@]1(O2)CN2CC[C@H]1CC2 | 19369576 | ||
73755058 | 10157 | 0 | None | - | 1 | Human | 7.0 | pKB | = | 7.0 | Functional | Guide to Pharmacology | 350 | 2 | 2 | 4 | 3.1 | O=C(Nc1ccccc1)Nc1cnc2c(c1)C[C@]1(O2)CN2CC[C@H]1CC2 | 19369576 |
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 |
5280805 | 92180 | 81 | None | - | 3 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1016/j.bmc.2014.08.038 | ||
CHEMBL226335 | 92180 | 81 | None | - | 3 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 610 | 6 | 10 | 16 | -1.7 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | 10.1016/j.bmc.2014.08.038 | ||
101879981 | 7942 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 334 | 1 | 1 | 3 | 4.1 | Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F | 10.1016/j.bmc.2014.08.038 | ||
9010 | 7942 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 334 | 1 | 1 | 3 | 4.1 | Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F | 10.1016/j.bmc.2014.08.038 | ||
CHEMBL3343015 | 7942 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 334 | 1 | 1 | 3 | 4.1 | Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F | 10.1016/j.bmc.2014.08.038 | ||
118716778 | 121833 | 2 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 290 | 1 | 1 | 3 | 4.0 | O=c1c(O)c(-c2cccc(Cl)c2F)oc2ccccc12 | 10.1016/j.bmc.2014.08.038 | ||
CHEMBL3343013 | 121833 | 2 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 290 | 1 | 1 | 3 | 4.0 | O=c1c(O)c(-c2cccc(Cl)c2F)oc2ccccc12 | 10.1016/j.bmc.2014.08.038 | ||
7728970 | 121832 | 3 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 256 | 1 | 1 | 3 | 3.3 | O=c1c(O)c(-c2ccccc2F)oc2ccccc12 | 10.1016/j.bmc.2014.08.038 | ||
CHEMBL3343012 | 121832 | 3 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 256 | 1 | 1 | 3 | 3.3 | O=c1c(O)c(-c2ccccc2F)oc2ccccc12 | 10.1016/j.bmc.2014.08.038 | ||
118716784 | 121835 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 3.7 | O=c1c(OCCO)c(-c2cc(Br)ccc2F)oc2ccccc12 | 10.1016/j.bmc.2014.08.038 | ||
CHEMBL3343023 | 121835 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 378 | 4 | 1 | 4 | 3.7 | O=c1c(OCCO)c(-c2cc(Br)ccc2F)oc2ccccc12 | 10.1016/j.bmc.2014.08.038 | ||
CHEMBL3315349 | 218159 | 3 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.bmc.2014.08.038 | ||||
7172 | 123469 | 94 | None | - | 2 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | 10.1016/j.bmc.2014.08.038 | ||
CHEMBL33720 | 123469 | 94 | None | - | 2 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | 10.1016/j.bmc.2014.08.038 | ||
DB09203 | 123469 | 94 | None | - | 2 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 167 | 3 | 3 | 3 | 0.6 | CNCC(O)c1ccc(O)cc1 | 10.1016/j.bmc.2014.08.038 | ||
118716779 | 121834 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 334 | 1 | 1 | 3 | 4.1 | O=c1c(O)c(-c2ccc(Br)cc2F)oc2ccccc12 | 10.1016/j.bmc.2014.08.038 | ||
CHEMBL3343014 | 121834 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 334 | 1 | 1 | 3 | 4.1 | O=c1c(O)c(-c2ccc(Br)cc2F)oc2ccccc12 | 10.1016/j.bmc.2014.08.038 | ||
CHEMBL3356083 | 218340 | 12 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||||
CHEMBL3356083 | 218340 | 12 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||||
145955540 | 169385 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1139 | 29 | 16 | 14 | -2.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169169 | 169385 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1139 | 29 | 16 | 14 | -2.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145950926 | 169537 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1153 | 33 | 15 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4171697 | 169537 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1153 | 33 | 15 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1 | 10.1016/j.ejmech.2017.12.035 | ||
145971940 | 169826 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4176146 | 169826 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145958560 | 169085 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4164449 | 169085 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145953783 | 169208 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1215 | 33 | 16 | 13 | -1.3 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4166325 | 169208 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1215 | 33 | 16 | 13 | -1.3 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145958189 | 168899 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1167 | 34 | 16 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4161479 | 168899 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 1167 | 34 | 16 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145951684 | 169728 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1165 | 30 | 15 | 13 | -2.0 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4174679 | 169728 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1165 | 30 | 15 | 13 | -2.0 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145973626 | 169872 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1165 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4176945 | 169872 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1165 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
145949312 | 169665 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1173 | 32 | 16 | 13 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4173583 | 169665 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1173 | 32 | 16 | 13 | -1.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145953723 | 169421 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1207 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169739 | 169421 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1207 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
145958420 | 168873 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4161037 | 168873 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145956001 | 169400 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1111 | 32 | 15 | 13 | -2.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169433 | 169400 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1111 | 32 | 15 | 13 | -2.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccccc1 | 10.1016/j.ejmech.2017.12.035 | ||
145950548 | 169618 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1115 | 29 | 15 | 13 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4172829 | 169618 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1115 | 29 | 15 | 13 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
145954330 | 169296 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1155 | 32 | 17 | 14 | -2.1 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4167677 | 169296 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1155 | 32 | 17 | 14 | -2.1 | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959870 | 168787 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1243 | 35 | 16 | 13 | -0.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)NCc1ccccc1)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4159554 | 168787 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1243 | 35 | 16 | 13 | -0.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)NCc1ccccc1)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145953216 | 169335 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1169 | 33 | 16 | 14 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4168351 | 169335 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1169 | 33 | 16 | 14 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1 | 10.1016/j.ejmech.2017.12.035 | ||
145959831 | 169123 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1197 | 33 | 17 | 14 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4164922 | 169123 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1197 | 33 | 17 | 14 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145971434 | 169783 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1203 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4175546 | 169783 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1203 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145957679 | 168875 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4161095 | 168875 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 1127 | 32 | 16 | 14 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)Cc1ccc(O)cc1 | 10.1016/j.ejmech.2017.12.035 | ||
10260704 | 169419 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169726 | 169419 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
10260704 | 169419 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4169726 | 169419 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 1153 | 33 | 16 | 13 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145972936 | 169874 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1181 | 33 | 16 | 13 | -1.6 | CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4177021 | 169874 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 1181 | 33 | 16 | 13 | -1.6 | CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959730 | 168992 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1183 | 34 | 16 | 14 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4162868 | 168992 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1183 | 34 | 16 | 14 | -2.2 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145954222 | 169165 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1123 | 30 | 16 | 13 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4165538 | 169165 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1123 | 30 | 16 | 13 | -2.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959164 | 168902 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1157 | 30 | 15 | 13 | -1.8 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4161501 | 168902 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1157 | 30 | 15 | 13 | -1.8 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.ejmech.2017.12.035 | ||
145974070 | 169830 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1125 | 33 | 15 | 13 | -2.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4176206 | 169830 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1125 | 33 | 15 | 13 | -2.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959590 | 169126 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1243 | 35 | 16 | 13 | -0.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1 | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4164957 | 169126 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1243 | 35 | 16 | 13 | -0.4 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1 | 10.1021/acsmedchemlett.8b00105 | ||
145954208 | 169460 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1225 | 33 | 17 | 14 | -1.3 | CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4170275 | 169460 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 1225 | 33 | 17 | 14 | -1.3 | CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145956177 | 169304 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1167 | 33 | 16 | 13 | -2.0 | CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4167803 | 169304 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 1167 | 33 | 16 | 13 | -2.0 | CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145958000 | 168982 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1215 | 30 | 15 | 13 | -0.9 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4162728 | 168982 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1215 | 30 | 15 | 13 | -0.9 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145952841 | 169427 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1167 | 34 | 15 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4169824 | 169427 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1167 | 34 | 15 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145972641 | 169788 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1167 | 33 | 16 | 13 | -2.0 | CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4175581 | 169788 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1167 | 33 | 16 | 13 | -2.0 | CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | 10.1021/acsmedchemlett.8b00105 | ||
145955290 | 169358 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1181 | 30 | 16 | 14 | -2.3 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4168753 | 169358 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 1181 | 30 | 16 | 14 | -2.3 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145958151 | 168862 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1161 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4160825 | 168862 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1161 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145960563 | 169155 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1203 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4165337 | 169155 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1203 | 33 | 16 | 13 | -1.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145949890 | 169598 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1139 | 32 | 16 | 13 | -1.8 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4172552 | 169598 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 1139 | 32 | 16 | 13 | -1.8 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145958712 | 168950 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1179 | 31 | 16 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)CCc2ccccc2C1 | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4162351 | 168950 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1179 | 31 | 16 | 13 | -1.9 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)CCc2ccccc2C1 | 10.1021/acsmedchemlett.8b00105 | ||
145972185 | 169815 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1161 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4175953 | 169815 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1161 | 32 | 16 | 13 | -1.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959083 | 168762 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1141 | 33 | 16 | 14 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4159176 | 168762 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1141 | 33 | 16 | 14 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
102340758 | 120085 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL3315335 | 120085 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 835 | 25 | 11 | 10 | -1.6 | CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145959336 | 169128 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1179 | 30 | 14 | 13 | -1.7 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4164987 | 169128 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1179 | 30 | 14 | 13 | -1.7 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
145956751 | 168928 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1187 | 33 | 15 | 12 | -0.8 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4161902 | 168928 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1187 | 33 | 15 | 12 | -0.8 | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145950907 | 169510 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1195 | 31 | 15 | 14 | -2.0 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4171236 | 169510 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1195 | 31 | 15 | 14 | -2.0 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(CCc1ccc(O)cc1)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
13920670 | 169371 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4168961 | 169371 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145952282 | 169645 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1095 | 27 | 13 | 13 | -2.3 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
CHEMBL4173224 | 169645 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1095 | 27 | 13 | 13 | -2.3 | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/acsmedchemlett.8b00105 | ||
13920665 | 169103 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4164680 | 169103 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1111 | 32 | 16 | 13 | -2.4 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
145960270 | 169057 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1145 | 32 | 15 | 12 | -1.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
CHEMBL4164026 | 169057 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 1145 | 32 | 15 | 12 | -1.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1016/j.ejmech.2017.12.035 | ||
10148412 | 9556 | 0 | None | 3 | 2 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1473 | 9556 | 0 | None | 3 | 2 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1476 | 9556 | 0 | None | 3 | 2 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1472 | 9557 | 0 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
155817412 | 9557 | 0 | None | -2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
10148412 | 9556 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1473 | 9556 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1476 | 9556 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1470 | 9555 | 0 | None | 1 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1469 | 9552 | 0 | None | -2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1471 | 9554 | 0 | None | 1 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 |