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 |
117072558 | 1104 | 0 | None | 30 | 2 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 1104 | 0 | None | 30 | 2 | Human | 10.1 | pEC50 | = | 10.1 | 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 | 1104 | 0 | None | 30 | 2 | Human | 10.1 | pEC50 | = | 10.1 | 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 | ||||
CHEMBL3315349 | 209634 | 3 | None | 25 | 2 | Human | 9.9 | pEC50 | = | 9.9 | 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 | ||||
137634009 | 156087 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 3079 | 97 | 46 | 40 | -13.4 | 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/acs.jmedchem.7b00694 | ||
CHEMBL4069151 | 156087 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 3079 | 97 | 46 | 40 | -13.4 | 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/acs.jmedchem.7b00694 | ||
137657007 | 159263 | 0 | None | 35 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 937 | 23 | 13 | 9 | 1.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/acs.jmedchem.7b00694 | ||
CHEMBL4105671 | 159263 | 0 | None | 35 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 937 | 23 | 13 | 9 | 1.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/acs.jmedchem.7b00694 | ||
137660866 | 158590 | 0 | None | - | 1 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 2704 | 86 | 39 | 37 | -11.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)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/acs.jmedchem.7b00694 | ||
CHEMBL4097923 | 158590 | 0 | None | - | 1 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 2704 | 86 | 39 | 37 | -11.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)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/acs.jmedchem.7b00694 | ||
CHEMBL3315349 | 209634 | 3 | None | 25 | 2 | 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](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 | ||||
CHEMBL3356083 | 209815 | 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 | ||||
10260704 | 162090 | 0 | None | 3 | 2 | Human | 9.3 | pEC50 | = | 9.3 | 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 | 162090 | 0 | None | 3 | 2 | Human | 9.3 | pEC50 | = | 9.3 | 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 | 162090 | 0 | None | 3 | 2 | Human | 9.3 | pEC50 | = | 9.3 | 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 | 162090 | 0 | None | 3 | 2 | Human | 9.3 | pEC50 | = | 9.3 | 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 | ||
CHEMBL3758577 | 210478 | 0 | None | -2 | 2 | Human | 9.3 | pEC50 | = | 9.3 | 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(N)=O | 10.1016/j.ejmech.2015.07.020 | ||||
CHEMBL3759452 | 210484 | 0 | None | -1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | 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 | ||||
CHEMBL3356083 | 209815 | 12 | None | -2 | 4 | Mouse | 9.1 | pEC50 | = | 9.1 | 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 | ||||
CHEMBL3315349 | 209634 | 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 | 10.1016/j.ejmech.2015.07.020 | ||||
145956751 | 161600 | 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 | 161600 | 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 | ||
7926 | 1121 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | 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](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1 | 10.1016/j.bmcl.2020.127436 | ||||
91623352 | 1121 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | 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](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1 | 10.1016/j.bmcl.2020.127436 | ||||
CHEMBL3315348 | 1121 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | 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](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1 | 10.1016/j.bmcl.2020.127436 | ||||
CHEMBL4299242 | 211802 | 0 | None | 1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||||
145949890 | 162269 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 162269 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||
145959870 | 161459 | 0 | None | 8 | 2 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 161459 | 0 | None | 8 | 2 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||
137639361 | 156256 | 0 | None | -9 | 4 | Human | 7.0 | pEC50 | = | 7 | 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 | 156256 | 0 | None | -9 | 4 | Human | 7.0 | pEC50 | = | 7 | 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 | ||
137651400 | 156664 | 0 | None | -10 | 4 | Mouse | 7.0 | pEC50 | = | 7 | 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 | 156664 | 0 | None | -10 | 4 | Mouse | 7.0 | pEC50 | = | 7 | 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 | ||
145950907 | 162181 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | 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 | 162181 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | 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 | ||
145956001 | 162071 | 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 | 162071 | 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 | ||
137647843 | 157057 | 0 | None | -64 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 157057 | 0 | None | -64 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
137654963 | 158234 | 0 | None | -29 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 158234 | 0 | None | -29 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
145955290 | 162029 | 0 | None | 64 | 2 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 162029 | 0 | None | 64 | 2 | Human | 7.9 | pEC50 | = | 7.9 | 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 | ||
126558991 | 137219 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | 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 | 137219 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | 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 | ||
127027325 | 137181 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | 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 | 137181 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | 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 | ||
CHEMBL4299250 | 211804 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||||
145959590 | 161797 | 0 | None | -2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 161797 | 0 | None | -2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
127025772 | 137132 | 0 | None | -1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | 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 | 137132 | 0 | None | -1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||
CHEMBL4299263 | 211808 | 0 | None | -1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | 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 | ||||
145952841 | 162098 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 162098 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
127026380 | 137286 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | 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 | 137286 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | 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 | ||
145958189 | 161571 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 161571 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
127025171 | 137246 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 137246 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
137639361 | 156256 | 0 | None | -15 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | 156256 | 0 | None | -15 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | 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 | ||
145950926 | 162208 | 0 | None | 9 | 2 | Human | 6.8 | pEC50 | = | 6.8 | 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 | 162208 | 0 | None | 9 | 2 | Human | 6.8 | pEC50 | = | 6.8 | 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 | ||
13920660 | 161872 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | 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 | 161872 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | 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 | ||
145959336 | 161799 | 0 | None | 87 | 2 | Human | 7.7 | pEC50 | = | 7.7 | 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 | 161799 | 0 | None | 87 | 2 | Human | 7.7 | pEC50 | = | 7.7 | 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 | ||
145950548 | 162289 | 0 | None | 7 | 2 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 162289 | 0 | None | 7 | 2 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
145953216 | 162006 | 0 | None | 29 | 2 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 162006 | 0 | None | 29 | 2 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
7926 | 1121 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | 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](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1 | 10.1021/jm500599s | ||||
91623352 | 1121 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | 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](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1 | 10.1021/jm500599s | ||||
CHEMBL3315348 | 1121 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | 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](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1 | 10.1021/jm500599s | ||||
145958000 | 161654 | 0 | None | 724 | 2 | Human | 8.5 | pEC50 | = | 8.5 | 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 | 161654 | 0 | None | 724 | 2 | Human | 8.5 | pEC50 | = | 8.5 | 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 | ||
145959730 | 161664 | 0 | None | 9 | 2 | Human | 6.7 | pEC50 | = | 6.7 | 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 | 161664 | 0 | None | 9 | 2 | Human | 6.7 | pEC50 | = | 6.7 | 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 | ||
145958420 | 161545 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | 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 | 161545 | 0 | None | 1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | 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 | ||
145953783 | 161879 | 0 | None | -14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 161879 | 0 | None | -14 | 2 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
CHEMBL3356082 | 209814 | 0 | None | -15 | 4 | Mouse | 5.6 | pEC50 | = | 5.6 | 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 | ||||
137647843 | 157057 | 0 | None | -14 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | 157057 | 0 | None | -14 | 4 | Human | 7.6 | pEC50 | = | 7.6 | 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 | ||
145973626 | 162543 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | 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 | 162543 | 0 | None | -7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||
145974338 | 162538 | 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 | 162538 | 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 | ||
145958712 | 161622 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 161622 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
145953723 | 162092 | 0 | None | -3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 162092 | 0 | None | -3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
137639547 | 156176 | 0 | None | -83 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 156176 | 0 | None | -83 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
145954208 | 162131 | 0 | None | 1698 | 2 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 162131 | 0 | None | 1698 | 2 | Human | 8.4 | pEC50 | = | 8.4 | 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 | ||
137656685 | 159214 | 0 | None | -52 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | 159214 | 0 | None | -52 | 4 | Mouse | 6.5 | pEC50 | = | 6.5 | 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 | ||
137654882 | 158050 | 0 | None | -40 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 158050 | 0 | None | -40 | 3 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
13920665 | 161774 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | 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 | ||
CHEMBL4164680 | 161774 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | 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 | ||
137660608 | 158543 | 0 | None | -22 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 158543 | 0 | None | -22 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
137652197 | 156948 | 0 | None | -17 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 156948 | 0 | None | -17 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
137644441 | 157730 | 0 | None | -21 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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 | 157730 | 0 | None | -21 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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 | ||
145951399 | 162284 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | 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 | 162284 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | 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 | ||
CHEMBL3356083 | 209815 | 12 | None | -2 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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/acsmedchemlett.8b00105 | ||||
CHEMBL3356083 | 209815 | 12 | None | -2 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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.ejmech.2017.12.035 | ||||
145972936 | 162545 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 162545 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | 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 | ||
145971434 | 162454 | 0 | None | 208 | 2 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 162454 | 0 | None | 208 | 2 | Human | 8.4 | pEC50 | = | 8.4 | 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 | ||
145960563 | 161826 | 0 | None | 74 | 2 | Human | 8.4 | pEC50 | = | 8.4 | 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 | 161826 | 0 | None | 74 | 2 | Human | 8.4 | pEC50 | = | 8.4 | 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 | ||
145958151 | 161534 | 0 | None | 81 | 2 | Human | 7.4 | pEC50 | = | 7.4 | 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](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 | 161534 | 0 | None | 81 | 2 | Human | 7.4 | pEC50 | = | 7.4 | 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](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 | ||
137657622 | 159113 | 0 | None | -27 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 159113 | 0 | None | -27 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
137640722 | 156481 | 0 | None | -29 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | 156481 | 0 | None | -29 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||
127029245 | 137297 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 137297 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
137654963 | 158234 | 0 | None | -12 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 158234 | 0 | None | -12 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
137639547 | 156176 | 0 | None | -14 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 156176 | 0 | None | -14 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
145951684 | 162399 | 0 | None | 29 | 2 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 162399 | 0 | None | 29 | 2 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
145954222 | 161836 | 0 | None | 12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | 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 | 161836 | 0 | None | 12 | 2 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||
CHEMBL4299273 | 211809 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||||
127026692 | 137278 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | 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 | 137278 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | 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 | ||
145972185 | 162486 | 0 | None | 79 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 162486 | 0 | None | 79 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
137656685 | 159214 | 0 | None | -9 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 159214 | 0 | None | -9 | 4 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
145952282 | 162316 | 0 | None | 5 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | 162316 | 0 | None | 5 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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 | ||
145949312 | 162336 | 0 | None | -38 | 2 | Human | 5.3 | pEC50 | = | 5.3 | 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 | 162336 | 0 | None | -38 | 2 | Human | 5.3 | pEC50 | = | 5.3 | 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 | ||
145956177 | 161975 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 161975 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
145959083 | 161434 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | 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 | 161434 | 0 | None | 1 | 2 | Human | 6.2 | pEC50 | = | 6.2 | 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 | ||
CHEMBL3758687 | 210479 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||||
137660608 | 158543 | 0 | None | -41 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 158543 | 0 | None | -41 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
145957679 | 161547 | 0 | None | 5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | 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 | 161547 | 0 | None | 5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | 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 | ||
137645284 | 157150 | 0 | None | -7 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | 157150 | 0 | None | -7 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||
CHEMBL4299255 | 211807 | 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 | ||||
145960270 | 161728 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 161728 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
137651400 | 156664 | 0 | None | -7 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | 156664 | 0 | None | -7 | 4 | Human | 7.2 | pEC50 | = | 7.2 | 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 | ||
137645284 | 157150 | 0 | None | -77 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 157150 | 0 | None | -77 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
13920666 | 162246 | 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 | 162246 | 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 | ||
145959831 | 161794 | 0 | None | 1548 | 2 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 161794 | 0 | None | 1548 | 2 | Human | 8.1 | pEC50 | = | 8.1 | 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 | ||
137657622 | 159113 | 0 | None | -45 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | 159113 | 0 | None | -45 | 4 | Mouse | 7.2 | pEC50 | = | 7.2 | 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 | ||
CHEMBL3356082 | 209814 | 0 | None | -4 | 4 | Human | 6.2 | pEC50 | = | 6.2 | 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 | ||||
137644441 | 157730 | 0 | None | -47 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | 157730 | 0 | None | -47 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||
145954330 | 161967 | 0 | None | 134 | 2 | Human | 7.1 | pEC50 | = | 7.1 | 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 | 161967 | 0 | None | 134 | 2 | Human | 7.1 | pEC50 | = | 7.1 | 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 | ||
CHEMBL4299249 | 211803 | 0 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | 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 | ||||
145950449 | 162438 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | 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 | 162438 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | 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 | ||
137657007 | 159263 | 0 | None | -35 | 2 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 937 | 23 | 13 | 9 | 1.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/acs.jmedchem.7b00694 | ||
CHEMBL4105671 | 159263 | 0 | None | -35 | 2 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 937 | 23 | 13 | 9 | 1.7 | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/acs.jmedchem.7b00694 | ||
137640722 | 156481 | 0 | None | -52 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | 156481 | 0 | None | -52 | 4 | Mouse | 7.1 | pEC50 | = | 7.1 | 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 | ||
145974070 | 162501 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 162501 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
145972641 | 162459 | 0 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | 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 | 162459 | 0 | None | 2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | 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 | ||
118708073 | 112806 | 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 | 112806 | 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 | ||
137640690 | 156529 | 0 | None | -87 | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | 156529 | 0 | None | -87 | 4 | Human | 8.0 | pEC50 | = | 8.0 | 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 | ||
CHEMBL3356083 | 209815 | 12 | None | -2 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | ||||
137640690 | 156529 | 0 | None | -87 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | 156529 | 0 | None | -87 | 4 | Mouse | 8.0 | pEC50 | = | 8.0 | 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 | ||
145959164 | 161574 | 0 | None | 8 | 2 | Human | 7.0 | pEC50 | = | 7.0 | 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 | 161574 | 0 | None | 8 | 2 | Human | 7.0 | pEC50 | = | 7.0 | 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 | ||
137652197 | 156948 | 0 | None | -48 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | 156948 | 0 | None | -48 | 4 | Mouse | 7.0 | pEC50 | = | 7.0 | 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 | ||
145955540 | 162056 | 0 | None | 27 | 2 | Human | 7.0 | pEC50 | = | 7.0 | 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 | 162056 | 0 | None | 27 | 2 | Human | 7.0 | pEC50 | = | 7.0 | 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 | ||
117072558 | 1104 | 0 | None | 30 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 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 | 25815150 | ||||
9008 | 1104 | 0 | None | 30 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 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 | 25815150 | ||||
CHEMBL3425593 | 1104 | 0 | None | 30 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 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 | 25815150 | ||||
1468 | 2732 | 0 | None | 3 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | Guide to Pharmacology | None | None | None | None | 15635449 | ||||
117072559 | 2789 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | 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 | 2789 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | 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 | ||||
7928 | 2989 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 22771182 | ||||
11492 | 1171 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 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](NC(=O)CCCc1cccnc1)CCc1ccc2c(c1)cccc2)Cc1ccc(cc1)c1ccccc1 | 32721452 | ||||
155817526 | 1171 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 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](NC(=O)CCCc1cccnc1)CCc1ccc2c(c1)cccc2)Cc1ccc(cc1)c1ccccc1 | 32721452 | ||||
7926 | 1121 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 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](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1 | 24999562 | ||||
91623352 | 1121 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 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](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1 | 24999562 | ||||
CHEMBL3315348 | 1121 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 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](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1 | 24999562 | ||||
1471 | 2738 | 0 | None | -1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1471 | 2738 | 0 | None | -1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1471 | 2738 | 0 | None | -1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
7925 | 1882 | 0 | None | 1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 24222478 | ||||
1470 | 2737 | 0 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1470 | 2737 | 0 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1470 | 2737 | 0 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1470 | 2737 | 0 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 15331768 | ||||
1469 | 2736 | 0 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1469 | 2736 | 0 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1469 | 2736 | 0 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
10148412 | 2740 | 0 | None | 3 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
10148412 | 2740 | 0 | None | 3 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
10148412 | 2740 | 0 | None | 3 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1473 | 2740 | 0 | None | 3 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1473 | 2740 | 0 | None | 3 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1473 | 2740 | 0 | None | 3 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1476 | 2740 | 0 | None | 3 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10894543 | ||||
1476 | 2740 | 0 | None | 3 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1476 | 2740 | 0 | None | 3 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
10380 | 1172 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | None | None | None | None | 28548497 | ||||
132585191 | 1172 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | Guide to Pharmacology | None | None | None | None | 28548497 | ||||
1468 | 2732 | 0 | None | 3 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | Guide to Pharmacology | None | None | None | None | 15635449 |
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 |
145951684 | 162399 | 0 | None | - | 0 | Human | 10.4 | pIC50 | = | 10.4 | 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 | 162399 | 0 | None | - | 0 | Human | 10.4 | pIC50 | = | 10.4 | 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 | ||
145954222 | 161836 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | 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 | 161836 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | 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 | ||
145958000 | 161654 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10.0 | 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 | 161654 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10.0 | 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 | ||
145972936 | 162545 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | 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 | 162545 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | 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 | ||
10260704 | 162090 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 162090 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 162090 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 162090 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
145958151 | 161534 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 161534 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
145971434 | 162454 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 162454 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
145949890 | 162269 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | 162269 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | 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 | ||
145959831 | 161794 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | 161794 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | ||
145960563 | 161826 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | 161826 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | 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 | ||
145972185 | 162486 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 162486 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | ||
145954208 | 162131 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | 162131 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | 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 | ||
145959870 | 161459 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | 161459 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | ||
CHEMBL3356083 | 209815 | 12 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | 209815 | 12 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | ||||
145956751 | 161600 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | 161600 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | 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 | ||
145960270 | 161728 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | 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 | 161728 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | 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 | ||
145955290 | 162029 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | 162029 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | 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 | ||
145954330 | 161967 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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 | 161967 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | 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 | ||
145959083 | 161434 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | 161434 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | ||
145953723 | 162092 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 162092 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||
13920665 | 161774 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 161774 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | 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 | ||
145949312 | 162336 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 162336 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | ||
145957679 | 161547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 161547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | ||
145971940 | 162497 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | 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 | 162497 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | 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 | ||
145952282 | 162316 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | 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 | 162316 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | 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 | ||
145972641 | 162459 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 162459 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | 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 | ||
145973626 | 162543 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 162543 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
145953216 | 162006 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 162006 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
145958189 | 161571 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 161571 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
145959336 | 161799 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | 161799 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | 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 | ||
145959730 | 161664 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | 161664 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | ||
145974070 | 162501 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 162501 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
145950907 | 162181 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 162181 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | ||
145959590 | 161797 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 161797 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
145958560 | 161756 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 161756 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | ||
102340758 | 112809 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | 112809 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | 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 | ||
145956001 | 162071 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 162071 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
145953783 | 161879 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 161879 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
145952841 | 162098 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 162098 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
145950548 | 162289 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 162289 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
145959164 | 161574 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 161574 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
13920670 | 162042 | 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 | ||
CHEMBL4168961 | 162042 | 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 | ||
145956177 | 161975 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 161975 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
145955540 | 162056 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 162056 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
145958712 | 161622 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 161622 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
145950926 | 162208 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 162208 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
145958420 | 161545 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 161545 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | ||
10148412 | 2740 | 0 | None | -3 | 2 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1473 | 2740 | 0 | None | -3 | 2 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1476 | 2740 | 0 | None | -3 | 2 | Human | 8.6 | pKd | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 10899166 | ||||
1469 | 2736 | 0 | None | 2 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1472 | 2739 | 0 | None | 2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
155817412 | 2739 | 0 | None | 2 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
10148412 | 2740 | 0 | None | -3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1473 | 2740 | 0 | None | -3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1476 | 2740 | 0 | None | -3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1470 | 2737 | 0 | None | -1 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 | ||||
1471 | 2738 | 0 | None | -1 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 15292653 |