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 |
12607 | 3725 | 37 | None | 1 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
16033 | 3725 | 37 | None | 1 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
CHEMBL3559801 | 3725 | 37 | None | 1 | 4 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
56841989 | 211672 | 4 | None | -2 | 6 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 211672 | 4 | None | -2 | 6 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4279973 | 211653 | 0 | None | 2 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4284905 | 211702 | 0 | None | 10 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4286615 | 211716 | 0 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4279973 | 211653 | 0 | None | 2 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4284905 | 211702 | 0 | None | 10 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4286615 | 211716 | 0 | None | -1 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
3260593 | 116567 | 10 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | ||
CHEMBL3392057 | 116567 | 10 | None | -1 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | ||
135469963 | 108615 | 6 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | O=C(/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)F)c1ccc(Br)cc1 | nan | ||
CHEMBL3213459 | 108615 | 6 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | O=C(/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)F)c1ccc(Br)cc1 | nan | ||
1192552 | 21913 | 11 | None | -4 | 4 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | ||
CHEMBL1322039 | 21913 | 11 | None | -4 | 4 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | ||
2803877 | 20834 | 5 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1311742 | 20834 | 5 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | ||
693933 | 47466 | 14 | None | -3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 3 | 1 | 3 | 3.9 | Nc1cc(-c2ccc(Br)cc2)nn1Cc1ccccc1 | nan | ||
CHEMBL1547757 | 47466 | 14 | None | -3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 3 | 1 | 3 | 3.9 | Nc1cc(-c2ccc(Br)cc2)nn1Cc1ccccc1 | nan | ||
2809885 | 46327 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 317 | 6 | 2 | 3 | 2.8 | OC(CNC1Cc2ccccc2C1)COc1ccc(Cl)cc1 | nan | ||
CHEMBL1538224 | 46327 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 317 | 6 | 2 | 3 | 2.8 | OC(CNC1Cc2ccccc2C1)COc1ccc(Cl)cc1 | nan | ||
3235884 | 51075 | 5 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 466 | 8 | 3 | 9 | 1.7 | CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1 | nan | ||
CHEMBL1581332 | 51075 | 5 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 466 | 8 | 3 | 9 | 1.7 | CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1 | nan | ||
9665691 | 108606 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 273 | 2 | 1 | 4 | 3.5 | Fc1ccc2c(c1)/C(=N/Nc1ccccn1)CCS2 | nan | ||
CHEMBL3213319 | 108606 | 1 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 273 | 2 | 1 | 4 | 3.5 | Fc1ccc2c(c1)/C(=N/Nc1ccccn1)CCS2 | nan | ||
56209 | 19294 | 27 | None | 1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 296 | 6 | 1 | 3 | 3.5 | CCN(CC)CC(O)Cn1c2ccccc2c2ccccc21 | nan | ||
CHEMBL1299267 | 19294 | 27 | None | 1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 296 | 6 | 1 | 3 | 3.5 | CCN(CC)CC(O)Cn1c2ccccc2c2ccccc21 | nan | ||
CHEMBL4294277 | 211782 | 0 | None | -12 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
1799038 | 40231 | 11 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 355 | 4 | 2 | 3 | 4.9 | CC(=O)C(=Nc1ccc(Cl)cc1Cl)NNc1cccc(Cl)c1 | nan | ||
CHEMBL1482637 | 40231 | 11 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 355 | 4 | 2 | 3 | 4.9 | CC(=O)C(=Nc1ccc(Cl)cc1Cl)NNc1cccc(Cl)c1 | nan | ||
3431315 | 53353 | 7 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 551 | 7 | 2 | 5 | 4.7 | O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 | nan | ||
CHEMBL1602800 | 53353 | 7 | None | 1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 551 | 7 | 2 | 5 | 4.7 | O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 | nan | ||
CHEMBL4294277 | 211782 | 0 | None | -12 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
1192552 | 21913 | 11 | None | -4 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | ||
CHEMBL1322039 | 21913 | 11 | None | -4 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | ||
3244114 | 22700 | 5 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 431 | 8 | 2 | 5 | 3.6 | CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 | nan | ||
CHEMBL1329027 | 22700 | 5 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 431 | 8 | 2 | 5 | 3.6 | CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 | nan | ||
CHEMBL3099724 | 209277 | 0 | None | -131 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
136217230 | 44276 | 1 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 442 | 6 | 1 | 9 | 3.7 | COc1ccc(Nc2oc(/C=C3/SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1 | nan | ||
CHEMBL1519588 | 44276 | 1 | None | -1 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 442 | 6 | 1 | 9 | 3.7 | COc1ccc(Nc2oc(/C=C3/SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1 | nan | ||
CHEMBL2371911 | 208406 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
CHEMBL3099723 | 209276 | 0 | None | -2 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
44667100 | 192817 | 8 | None | 2 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 281 | 4 | 1 | 3 | 3.8 | CN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12 | nan | ||
657581 | 192817 | 8 | None | 2 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 281 | 4 | 1 | 3 | 3.8 | CN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12 | nan | ||
CHEMBL526034 | 192817 | 8 | None | 2 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 281 | 4 | 1 | 3 | 3.8 | CN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12 | nan | ||
2191297 | 42911 | 9 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 408 | 7 | 0 | 8 | 3.3 | C=CCN1C(=O)/C(=C/c2ccc(OC(C)=O)c(OCC)c2[N+](=O)[O-])SC1=S | nan | ||
CHEMBL1505552 | 42911 | 9 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 408 | 7 | 0 | 8 | 3.3 | C=CCN1C(=O)/C(=C/c2ccc(OC(C)=O)c(OCC)c2[N+](=O)[O-])SC1=S | nan | ||
CHEMBL4278700 | 211642 | 0 | None | -79 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4292105 | 211765 | 0 | None | -15 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
682797 | 49591 | 17 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 316 | 3 | 2 | 4 | 4.2 | Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21 | nan | ||
CHEMBL1567983 | 49591 | 17 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 316 | 3 | 2 | 4 | 4.2 | Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21 | nan | ||
3911588 | 51276 | 7 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 4.5 | O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 | nan | ||
CHEMBL1583097 | 51276 | 7 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 4.5 | O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 | nan | ||
CHEMBL4278700 | 211642 | 0 | None | -79 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4292105 | 211765 | 0 | None | -15 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL3099724 | 209277 | 0 | None | -131 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
9700449 | 112159 | 0 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 356 | 10 | 2 | 5 | 4.4 | CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 | nan | ||
CHEMBL3192204 | 112159 | 0 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 356 | 10 | 2 | 5 | 4.4 | CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 | nan | ||
CHEMBL3303291 | 112159 | 0 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 356 | 10 | 2 | 5 | 4.4 | CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 | nan | ||
2167979 | 34591 | 10 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 369 | 3 | 2 | 2 | 4.2 | O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1431189 | 34591 | 10 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 369 | 3 | 2 | 2 | 4.2 | O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 | nan | ||
3093479 | 20526 | 10 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 510 | 6 | 3 | 5 | 4.9 | COc1ccc(N=C(S)NC(NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 | nan | ||
CHEMBL1309183 | 20526 | 10 | None | -1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 510 | 6 | 3 | 5 | 4.9 | COc1ccc(N=C(S)NC(NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 | nan | ||
67275 | 47130 | 68 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 311 | 2 | 2 | 2 | 4.8 | Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O | nan | ||
CHEMBL1544847 | 47130 | 68 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 311 | 2 | 2 | 2 | 4.8 | Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O | nan | ||
2090677 | 28577 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 337 | 3 | 2 | 3 | 4.5 | O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)C1CC1 | nan | ||
CHEMBL1378687 | 28577 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 337 | 3 | 2 | 3 | 4.5 | O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)C1CC1 | nan | ||
3641052 | 48708 | 2 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 375 | 4 | 0 | 8 | 3.1 | CCn1nc([N+](=O)[O-])c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O | nan | ||
CHEMBL1560379 | 48708 | 2 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 375 | 4 | 0 | 8 | 3.1 | CCn1nc([N+](=O)[O-])c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O | nan | ||
984148 | 46735 | 4 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 356 | 6 | 3 | 6 | 3.9 | CCCc1cc(-c2[nH]ncc2-c2ccc(C(=O)OCC)o2)c(O)cc1O | nan | ||
CHEMBL1541596 | 46735 | 4 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 356 | 6 | 3 | 6 | 3.9 | CCCc1cc(-c2[nH]ncc2-c2ccc(C(=O)OCC)o2)c(O)cc1O | nan | ||
1326639 | 34659 | 10 | None | 1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 3.7 | O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | ||
CHEMBL1431891 | 34659 | 10 | None | 1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 373 | 4 | 1 | 4 | 3.7 | O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | ||
1479154 | 46243 | 11 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 3.1 | COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc32)cc1 | nan | ||
CHEMBL1537587 | 46243 | 11 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 359 | 5 | 1 | 5 | 3.1 | COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc32)cc1 | nan | ||
CHEMBL439904 | 212106 | 12 | None | -134 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||||
2985425 | 55562 | 12 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 263 | 5 | 1 | 3 | 2.5 | Cc1ccccc1OCC(O)CN1CCC(C)CC1 | nan | ||
CHEMBL1538646 | 55562 | 12 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 263 | 5 | 1 | 3 | 2.5 | Cc1ccccc1OCC(O)CN1CCC(C)CC1 | nan | ||
CHEMBL1623239 | 55562 | 12 | None | 1 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 263 | 5 | 1 | 3 | 2.5 | Cc1ccccc1OCC(O)CN1CCC(C)CC1 | nan | ||
4539353 | 24648 | 10 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 442 | 4 | 1 | 5 | 3.6 | O=C(O)C1CC=CCC1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 | nan | ||
660299 | 24648 | 10 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 442 | 4 | 1 | 5 | 3.6 | O=C(O)C1CC=CCC1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 | nan | ||
CHEMBL1345141 | 24648 | 10 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 442 | 4 | 1 | 5 | 3.6 | O=C(O)C1CC=CCC1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 | nan | ||
1636339 | 44085 | 16 | None | -2 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 452 | 2 | 0 | 7 | 6.2 | Cc1cc2c(cc1C)N(C(=O)CSC1=NCCS1)C(C)(C)c1ssc(=S)c1-2 | nan | ||
CHEMBL1517881 | 44085 | 16 | None | -2 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 452 | 2 | 0 | 7 | 6.2 | Cc1cc2c(cc1C)N(C(=O)CSC1=NCCS1)C(C)(C)c1ssc(=S)c1-2 | nan | ||
CHEMBL3099721 | 209274 | 0 | None | -741 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
CHEMBL2371908 | 208403 | 0 | None | -16 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050907d | ||||
2315927 | 54873 | 2 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 427 | 5 | 0 | 1 | 7.0 | CN(C)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 | nan | ||
CHEMBL1343823 | 54873 | 2 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 427 | 5 | 0 | 1 | 7.0 | CN(C)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 | nan | ||
CHEMBL1617313 | 54873 | 2 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 427 | 5 | 0 | 1 | 7.0 | CN(C)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 | nan | ||
2816767 | 19703 | 6 | None | -1 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 356 | 3 | 2 | 6 | 5.1 | Nc1sc(-c2ccccc2)cc1-c1nnc(S)n1C1CCCCC1 | nan | ||
CHEMBL1302519 | 19703 | 6 | None | -1 | 3 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 356 | 3 | 2 | 6 | 5.1 | Nc1sc(-c2ccccc2)cc1-c1nnc(S)n1C1CCCCC1 | nan | ||
2945839 | 30261 | 12 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 487 | 8 | 2 | 8 | 3.5 | COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1 | nan | ||
CHEMBL1392858 | 30261 | 12 | None | -1 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 487 | 8 | 2 | 8 | 3.5 | COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1 | nan | ||
12004459 | 33105 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 407 | 6 | 2 | 6 | 3.4 | O=C1C2CC=CCC2C(=O)N1c1ccc(NCCc2ccc(O)cc2)c([N+](=O)[O-])c1 | nan | ||
CHEMBL1418821 | 33105 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 407 | 6 | 2 | 6 | 3.4 | O=C1C2CC=CCC2C(=O)N1c1ccc(NCCc2ccc(O)cc2)c([N+](=O)[O-])c1 | nan | ||
1929802 | 38477 | 9 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 414 | 5 | 4 | 3 | 5.1 | CCOc1ccc(NC(S)=NN=C(S)Nc2cccc(C(F)(F)F)c2)cc1 | nan | ||
CHEMBL1465891 | 38477 | 9 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 414 | 5 | 4 | 3 | 5.1 | CCOc1ccc(NC(S)=NN=C(S)Nc2cccc(C(F)(F)F)c2)cc1 | nan | ||
660707 | 36241 | 11 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 251 | 2 | 1 | 2 | 4.1 | CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 | nan | ||
CHEMBL1447448 | 36241 | 11 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 251 | 2 | 1 | 2 | 4.1 | CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 | nan | ||
653127 | 54819 | 11 | None | 1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
CHEMBL1366633 | 54819 | 11 | None | 1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
CHEMBL1454903 | 54819 | 11 | None | 1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
CHEMBL1616892 | 54819 | 11 | None | 1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
CHEMBL4277676 | 211627 | 0 | None | -63 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4280392 | 211658 | 0 | None | -39 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4277676 | 211627 | 0 | None | -63 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4280392 | 211658 | 0 | None | -39 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
5883623 | 72321 | 3 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 288 | 4 | 2 | 5 | 2.2 | N#C/C(=N/Nc1ccc(OC(F)(F)F)cc1)C(N)=S | nan | ||
CHEMBL1995800 | 72321 | 3 | None | -2 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 288 | 4 | 2 | 5 | 2.2 | N#C/C(=N/Nc1ccc(OC(F)(F)F)cc1)C(N)=S | nan | ||
3148028 | 23605 | 14 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 313 | 5 | 1 | 6 | 2.7 | O=C(COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1 | nan | ||
CHEMBL1336098 | 23605 | 14 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 313 | 5 | 1 | 6 | 2.7 | O=C(COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1 | nan | ||
16192803 | 47635 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
CHEMBL1549309 | 47635 | 0 | None | 1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
1786 | 2484 | 79 | None | -363 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
4171 | 2484 | 79 | None | -363 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
553 | 2484 | 79 | None | -363 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
CHEMBL13 | 2484 | 79 | None | -363 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
DB00264 | 2484 | 79 | None | -363 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
570353 | 42818 | 6 | None | -134 | 4 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 464 | 5 | 2 | 6 | 4.9 | O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 | nan | ||
CHEMBL1504701 | 42818 | 6 | None | -134 | 4 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 464 | 5 | 2 | 6 | 4.9 | O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 | nan | ||
CHEMBL3099722 | 209275 | 0 | None | -173 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
CHEMBL439904 | 212106 | 12 | None | -134 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
2836861 | 32219 | 4 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | ||
CHEMBL1411397 | 32219 | 4 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | ||
16192803 | 47635 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
CHEMBL1549309 | 47635 | 0 | None | 1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | ||
2803877 | 20834 | 5 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1311742 | 20834 | 5 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | ||
7066599 | 44242 | 10 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 293 | 3 | 1 | 4 | 4.5 | Fc1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1 | nan | ||
CHEMBL1519263 | 44242 | 10 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 293 | 3 | 1 | 4 | 4.5 | Fc1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1 | nan | ||
1078087 | 27915 | 35 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 220 | 2 | 2 | 3 | 2.1 | Cc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12 | nan | ||
CHEMBL1373205 | 27915 | 35 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 220 | 2 | 2 | 3 | 2.1 | Cc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12 | nan | ||
2836861 | 32219 | 4 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | ||
CHEMBL1411397 | 32219 | 4 | None | 2 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | ||
1206899 | 50234 | 17 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 174 | 1 | 2 | 5 | 1.0 | N#Cc1c(Cl)nsc1NN | nan | ||
CHEMBL1573719 | 50234 | 17 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 174 | 1 | 2 | 5 | 1.0 | N#Cc1c(Cl)nsc1NN | nan | ||
2185441 | 19630 | 9 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 5.2 | CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)nnc1-c1ccc(N)cc1 | nan | ||
CHEMBL1301994 | 19630 | 9 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 443 | 6 | 2 | 7 | 5.2 | CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)nnc1-c1ccc(N)cc1 | nan | ||
2405497 | 28171 | 8 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 431 | 5 | 2 | 5 | 5.9 | Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 | nan | ||
CHEMBL1374954 | 28171 | 8 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 431 | 5 | 2 | 5 | 5.9 | Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 | nan | ||
3562031 | 50104 | 12 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 445 | 4 | 2 | 3 | 4.1 | O=C(Nc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | nan | ||
CHEMBL1572588 | 50104 | 12 | None | -1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 445 | 4 | 2 | 3 | 4.1 | O=C(Nc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | nan | ||
CHEMBL4277590 | 211625 | 0 | None | -50 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4277590 | 211625 | 0 | None | -50 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4279794 | 211651 | 0 | None | -794 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4279794 | 211651 | 0 | None | -794 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
4055293 | 54814 | 7 | None | 1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 392 | 2 | 0 | 2 | 6.1 | Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 | nan | ||
CHEMBL1366987 | 54814 | 7 | None | 1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 392 | 2 | 0 | 2 | 6.1 | Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 | nan | ||
CHEMBL1616832 | 54814 | 7 | None | 1 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 392 | 2 | 0 | 2 | 6.1 | Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 | nan | ||
3237370 | 47554 | 5 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 3.3 | C=CCc1ccccc1OCC(O)CN1CCN(c2ccc(C)cc2)CC1 | nan | ||
CHEMBL1548605 | 47554 | 5 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 3.3 | C=CCc1ccccc1OCC(O)CN1CCN(c2ccc(C)cc2)CC1 | nan | ||
5710119 | 107517 | 7 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 283 | 4 | 1 | 4 | 3.5 | N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccccc1 | nan | ||
CHEMBL3194195 | 107517 | 7 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 283 | 4 | 1 | 4 | 3.5 | N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccccc1 | nan | ||
2919986 | 55001 | 6 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 387 | 8 | 1 | 7 | 2.2 | COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1 | nan | ||
CHEMBL1342462 | 55001 | 6 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 387 | 8 | 1 | 7 | 2.2 | COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1 | nan | ||
CHEMBL1618362 | 55001 | 6 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 387 | 8 | 1 | 7 | 2.2 | COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1 | nan | ||
1786 | 2484 | 79 | None | -363 | 6 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
4171 | 2484 | 79 | None | -363 | 6 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
553 | 2484 | 79 | None | -363 | 6 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
CHEMBL13 | 2484 | 79 | None | -363 | 6 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
DB00264 | 2484 | 79 | None | -363 | 6 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
708088 | 20982 | 11 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 328 | 4 | 1 | 5 | 3.6 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 | nan | ||
CHEMBL1312767 | 20982 | 11 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 328 | 4 | 1 | 5 | 3.6 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 | nan | ||
3598 | 187238 | 73 | None | -15 | 9 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
CHEMBL496 | 187238 | 73 | None | -15 | 9 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | nan | ||
3117655 | 39112 | 5 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 322 | 4 | 1 | 5 | 3.3 | CC1=NC(=O)C(N=Nc2ccccc2C(=O)O)N1c1ccccc1 | nan | ||
CHEMBL1471202 | 39112 | 5 | None | 1 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 322 | 4 | 1 | 5 | 3.3 | CC1=NC(=O)C(N=Nc2ccccc2C(=O)O)N1c1ccccc1 | nan | ||
162647593 | 183056 | 0 | None | - | 1 | Human | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 619 | 15 | 7 | 5 | 1.8 | N/C(=N/C(=O)NCCNC(=O)CF)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4746035 | 183056 | 0 | None | - | 1 | Human | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 619 | 15 | 7 | 5 | 1.8 | N/C(=N/C(=O)NCCNC(=O)CF)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802520 | 183056 | 0 | None | - | 1 | Human | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 619 | 15 | 7 | 5 | 1.8 | N/C(=N/C(=O)NCCNC(=O)CF)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162667448 | 183155 | 0 | None | - | 1 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 679 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)CBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4786911 | 183155 | 0 | None | - | 1 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 679 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)CBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803593 | 183155 | 0 | None | - | 1 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 679 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)CBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162655600 | 183094 | 0 | None | - | 1 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 629 | 15 | 7 | 5 | 2.5 | CC(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4755692 | 183094 | 0 | None | - | 1 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 629 | 15 | 7 | 5 | 2.5 | CC(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802951 | 183094 | 0 | None | - | 1 | Human | 10.2 | pIC50 | = | 10.2 | Functional | ChEMBL | 629 | 15 | 7 | 5 | 2.5 | CC(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162673313 | 183189 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 635 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)CCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4794692 | 183189 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 635 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)CCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803933 | 183189 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 635 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)CCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162675643 | 183202 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Functional | ChEMBL | 617 | 15 | 8 | 6 | 0.8 | N/C(=N/C(=O)NCCNC(=O)CO)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4798118 | 183202 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Functional | ChEMBL | 617 | 15 | 8 | 6 | 0.8 | N/C(=N/C(=O)NCCNC(=O)CO)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4804067 | 183202 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Functional | ChEMBL | 617 | 15 | 8 | 6 | 0.8 | N/C(=N/C(=O)NCCNC(=O)CO)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162645700 | 183047 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Functional | ChEMBL | 637 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)C(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4743858 | 183047 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Functional | ChEMBL | 637 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)C(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802419 | 183047 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Functional | ChEMBL | 637 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)C(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162652126 | 183073 | 0 | None | - | 1 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 655 | 14 | 7 | 5 | 2.4 | N/C(=N/C(=O)NCCNC(=O)C(F)(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4751322 | 183073 | 0 | None | - | 1 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 655 | 14 | 7 | 5 | 2.4 | N/C(=N/C(=O)NCCNC(=O)C(F)(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802763 | 183073 | 0 | None | - | 1 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 655 | 14 | 7 | 5 | 2.4 | N/C(=N/C(=O)NCCNC(=O)C(F)(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162653845 | 183085 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 613 | 15 | 7 | 5 | 2.0 | C=CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4753520 | 183085 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 613 | 15 | 7 | 5 | 2.0 | C=CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802860 | 183085 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 613 | 15 | 7 | 5 | 2.0 | C=CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162649085 | 183060 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 627 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)C1CC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4745338 | 183060 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 627 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)C1CC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802600 | 183060 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 627 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)C1CC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162659745 | 183117 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 641 | 15 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)C1CCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4762044 | 183117 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 641 | 15 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)C1CCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803174 | 183117 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 641 | 15 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)C1CCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162653308 | 183083 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 616 | 15 | 8 | 6 | 0.8 | NCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4752935 | 183083 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 616 | 15 | 8 | 6 | 0.8 | NCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802829 | 183083 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 616 | 15 | 8 | 6 | 0.8 | NCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162669845 | 183166 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 693 | 16 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)CCBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4789673 | 183166 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 693 | 16 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)CCBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803729 | 183166 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 693 | 16 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)CCBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162672910 | 183188 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 649 | 16 | 7 | 5 | 2.5 | N/C(=N/C(=O)NCCNC(=O)CCCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4795468 | 183188 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 649 | 16 | 7 | 5 | 2.5 | N/C(=N/C(=O)NCCNC(=O)CCCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803913 | 183188 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 649 | 16 | 7 | 5 | 2.5 | N/C(=N/C(=O)NCCNC(=O)CCCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
9959777 | 194995 | 5 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 571 | 10 | 2 | 8 | 6.8 | CCc1sc(CCc2cc(N3CCOCC3)cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL564536 | 194995 | 5 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 571 | 10 | 2 | 8 | 6.8 | CCc1sc(CCc2cc(N3CCOCC3)cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
44288313 | 162555 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 525 | 11 | 5 | 3 | 4.2 | N=C(N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL417711 | 162555 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 525 | 11 | 5 | 3 | 4.2 | N=C(N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
44288022 | 165980 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 499 | 10 | 6 | 4 | 3.1 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCc2cc(O)ccc21 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL42793 | 165980 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 499 | 10 | 6 | 4 | 3.1 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCc2cc(O)ccc21 | 10.1016/s0960-894x(00)00292-4 | ||
563820 | 55245 | 6 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | ||
CHEMBL1426022 | 55245 | 6 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | ||
CHEMBL1620460 | 55245 | 6 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | ||
2942743 | 41565 | 9 | None | -2 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 367 | 5 | 1 | 2 | 6.1 | CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 | nan | ||
CHEMBL1493277 | 41565 | 9 | None | -2 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 367 | 5 | 1 | 2 | 6.1 | CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 | nan | ||
9594209 | 107503 | 3 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 538 | 12 | 2 | 7 | 3.0 | COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC | nan | ||
CHEMBL3194054 | 107503 | 3 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 538 | 12 | 2 | 7 | 3.0 | COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC | nan | ||
3340390 | 29378 | 9 | None | -6 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 528 | 14 | 0 | 2 | 7.7 | O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL1385608 | 29378 | 9 | None | -6 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 528 | 14 | 0 | 2 | 7.7 | O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 | nan | ||
44634614 | 72571 | 0 | None | -2 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 528 | 2 | 3 | 5 | 3.8 | C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@@H]1O | nan | ||
CHEMBL2004475 | 72571 | 0 | None | -2 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 528 | 2 | 3 | 5 | 3.8 | C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@@H]1O | nan | ||
16192223 | 34049 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 403 | 7 | 1 | 5 | 4.6 | Cc1ccc(-n2cc(CNCCn3nc(C)cc3C)c(-c3ccc(F)cc3)n2)cc1 | nan | ||
CHEMBL1426722 | 34049 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 403 | 7 | 1 | 5 | 4.6 | Cc1ccc(-n2cc(CNCCn3nc(C)cc3C)c(-c3ccc(F)cc3)n2)cc1 | nan | ||
162670721 | 183170 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 663 | 15 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4792205 | 183170 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 663 | 15 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803781 | 183170 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 663 | 15 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
44288140 | 99889 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 11 | 5 | 3 | 2.9 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL289620 | 99889 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 11 | 5 | 3 | 2.9 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
44288235 | 168078 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 531 | 9 | 4 | 3 | 4.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL43627 | 168078 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 531 | 9 | 4 | 3 | 4.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
865459 | 25210 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 3.2 | CCSc1nc2ccc(OC)cc2cc1C#N | nan | ||
CHEMBL1349920 | 25210 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 3.2 | CCSc1nc2ccc(OC)cc2cc1C#N | nan | ||
2948077 | 24290 | 17 | None | 1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 327 | 4 | 0 | 6 | 3.6 | O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2 | nan | ||
CHEMBL1342128 | 24290 | 17 | None | 1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 327 | 4 | 0 | 6 | 3.6 | O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2 | nan | ||
44287731 | 161207 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 472 | 12 | 5 | 4 | 2.3 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccn1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41392 | 161207 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 472 | 12 | 5 | 4 | 2.3 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccn1 | 10.1016/s0960-894x(00)00292-4 | ||
2788869 | 33642 | 12 | None | -2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 444 | 8 | 0 | 6 | 5.4 | CCC(Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1)C(=O)OCc1ccccc1 | nan | ||
CHEMBL1423382 | 33642 | 12 | None | -2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 444 | 8 | 0 | 6 | 5.4 | CCC(Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1)C(=O)OCc1ccccc1 | nan | ||
2243399 | 37312 | 9 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 254 | 4 | 1 | 4 | 2.8 | C=CCNc1nc(N2CCCC2)nc2ccccc12 | nan | ||
CHEMBL1456185 | 37312 | 9 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 254 | 4 | 1 | 4 | 2.8 | C=CCNc1nc(N2CCCC2)nc2ccccc12 | nan | ||
44287938 | 99944 | 0 | None | -20 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL290175 | 99944 | 0 | None | -20 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
56841989 | 211672 | 4 | None | -2 | 6 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||||
CHEMBL4281479 | 211672 | 4 | None | -2 | 6 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||||
44288311 | 155107 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 565 | 9 | 4 | 3 | 4.8 | N=C(N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL40475 | 155107 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 565 | 9 | 4 | 3 | 4.8 | N=C(N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
1504749 | 29152 | 12 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 308 | 4 | 1 | 6 | 2.5 | Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1 | nan | ||
CHEMBL1383610 | 29152 | 12 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 308 | 4 | 1 | 6 | 2.5 | Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1 | nan | ||
5140222 | 45887 | 9 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 402 | 8 | 1 | 4 | 4.5 | CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 | nan | ||
CHEMBL1533962 | 45887 | 9 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 402 | 8 | 1 | 4 | 4.5 | CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 | nan | ||
2085549 | 53146 | 7 | None | 1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 357 | 5 | 0 | 7 | 5.2 | c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1 | nan | ||
CHEMBL1600727 | 53146 | 7 | None | 1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 357 | 5 | 0 | 7 | 5.2 | c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1 | nan | ||
45267382 | 194715 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 374 | 9 | 1 | 7 | 2.6 | CCc1oc(CCc2cc(N3CCOCC3)cc(NCCOC)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL562677 | 194715 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 374 | 9 | 1 | 7 | 2.6 | CCc1oc(CCc2cc(N3CCOCC3)cc(NCCOC)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
2862130 | 19488 | 13 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 386 | 4 | 0 | 4 | 4.5 | CCC1=Nc2ccc(Br)cc2C(c2ccccc2)N1CC(=O)OC | nan | ||
CHEMBL1300782 | 19488 | 13 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 386 | 4 | 0 | 4 | 4.5 | CCC1=Nc2ccc(Br)cc2C(c2ccccc2)N1CC(=O)OC | nan | ||
1816029 | 26226 | 6 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 294 | 5 | 0 | 4 | 3.6 | CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1 | nan | ||
CHEMBL1359694 | 26226 | 6 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 294 | 5 | 0 | 4 | 3.6 | CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1 | nan | ||
854958 | 32362 | 7 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 324 | 3 | 3 | 5 | 3.4 | CCc1cc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)c(O)cc1O | nan | ||
CHEMBL1412538 | 32362 | 7 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 324 | 3 | 3 | 5 | 3.4 | CCc1cc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)c(O)cc1O | nan | ||
2285391 | 25412 | 9 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 349 | 8 | 1 | 3 | 4.1 | Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2)c1 | nan | ||
CHEMBL1351633 | 25412 | 9 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 349 | 8 | 1 | 3 | 4.1 | Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2)c1 | nan | ||
860841 | 35339 | 8 | None | -1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 327 | 3 | 0 | 6 | 3.7 | Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
CHEMBL1439255 | 35339 | 8 | None | -1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 327 | 3 | 0 | 6 | 3.7 | Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
667608 | 54813 | 9 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | ||
CHEMBL1364371 | 54813 | 9 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | ||
CHEMBL1616825 | 54813 | 9 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | ||
12004848 | 26871 | 1 | None | -2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.5 | CCCCOc1ccc(C2=NNC(=O)CC2)cc1 | nan | ||
CHEMBL1365319 | 26871 | 1 | None | -2 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 246 | 5 | 1 | 3 | 2.5 | CCCCOc1ccc(C2=NNC(=O)CC2)cc1 | nan | ||
5132730 | 25592 | 11 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 354 | 9 | 2 | 4 | 2.7 | CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1 | nan | ||
CHEMBL1353075 | 25592 | 11 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 354 | 9 | 2 | 4 | 2.7 | CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1 | nan | ||
162655171 | 183091 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 643 | 14 | 7 | 5 | 2.9 | CC(C)(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4756494 | 183091 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 643 | 14 | 7 | 5 | 2.9 | CC(C)(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802928 | 183091 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 643 | 14 | 7 | 5 | 2.9 | CC(C)(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
44287998 | 155011 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 483 | 10 | 5 | 3 | 3.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL40430 | 155011 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 483 | 10 | 5 | 3 | 3.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
11958626 | 30061 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 352 | 8 | 2 | 5 | 3.3 | CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O | nan | ||
CHEMBL1391119 | 30061 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 352 | 8 | 2 | 5 | 3.3 | CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O | nan | ||
9869677 | 61316 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 477 | 8 | 2 | 7 | 4.9 | CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771260 | 61316 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 477 | 8 | 2 | 7 | 4.9 | CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
44229545 | 194375 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 375 | 6 | 1 | 8 | 3.2 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCC#N)n2)sc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL560382 | 194375 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 375 | 6 | 1 | 8 | 3.2 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCC#N)n2)sc1C | 10.1016/j.bmcl.2009.05.069 | ||
45269118 | 194732 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 402 | 9 | 1 | 8 | 2.5 | CCOC(=O)CNc1cc(N2CCOCC2)cc(CCc2nc(C)c(CC)o2)n1 | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL562831 | 194732 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 402 | 9 | 1 | 8 | 2.5 | CCOC(=O)CNc1cc(N2CCOCC2)cc(CCc2nc(C)c(CC)o2)n1 | 10.1016/j.bmcl.2009.05.069 | ||
3487983 | 55714 | 2 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 289 | 1 | 0 | 1 | 3.9 | CC1CC(C)CN(C2=CC(=[N+]3CCCC3)CC(C)(C)C2)C1 | nan | ||
CHEMBL1550184 | 55714 | 2 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 289 | 1 | 0 | 1 | 3.9 | CC1CC(C)CN(C2=CC(=[N+]3CCCC3)CC(C)(C)C2)C1 | nan | ||
CHEMBL1624501 | 55714 | 2 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 289 | 1 | 0 | 1 | 3.9 | CC1CC(C)CN(C2=CC(=[N+]3CCCC3)CC(C)(C)C2)C1 | nan | ||
162662291 | 183132 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 681 | 15 | 7 | 5 | 3.3 | N/C(=N/C(=O)NCCNC(=O)c1ccc(F)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4764296 | 183132 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 681 | 15 | 7 | 5 | 3.3 | N/C(=N/C(=O)NCCNC(=O)c1ccc(F)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803298 | 183132 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 681 | 15 | 7 | 5 | 3.3 | N/C(=N/C(=O)NCCNC(=O)c1ccc(F)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
45268225 | 194992 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 344 | 7 | 1 | 6 | 3.0 | CCNc1cc(N2CCOCC2)cc(CCc2nc(C)c(CC)o2)n1 | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL564513 | 194992 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 344 | 7 | 1 | 6 | 3.0 | CCNc1cc(N2CCOCC2)cc(CCc2nc(C)c(CC)o2)n1 | 10.1016/j.bmcl.2009.05.069 | ||
16192231 | 42750 | 7 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 375 | 7 | 0 | 4 | 4.6 | CCOC(=O)C1(CCCc2ccccc2)CCN(C2CCSCC2)CC1 | nan | ||
CHEMBL1504083 | 42750 | 7 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 375 | 7 | 0 | 4 | 4.6 | CCOC(=O)C1(CCCc2ccccc2)CCN(C2CCSCC2)CC1 | nan | ||
11958550 | 48182 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 368 | 8 | 2 | 5 | 3.8 | CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O | nan | ||
CHEMBL1555711 | 48182 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 368 | 8 | 2 | 5 | 3.8 | CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O | nan | ||
21129772 | 168857 | 3 | None | 7943 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL44246 | 168857 | 3 | None | 7943 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
2669460 | 47182 | 7 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 323 | 4 | 1 | 3 | 4.5 | CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1 | nan | ||
CHEMBL1545205 | 47182 | 7 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 323 | 4 | 1 | 3 | 4.5 | CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1 | nan | ||
3849628 | 107921 | 13 | None | 1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 377 | 7 | 1 | 7 | 3.9 | CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccc(Cl)cc1)=C(\O)OCC | nan | ||
CHEMBL3198593 | 107921 | 13 | None | 1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 377 | 7 | 1 | 7 | 3.9 | CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccc(Cl)cc1)=C(\O)OCC | nan | ||
1915932 | 25270 | 6 | None | -1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 412 | 5 | 1 | 4 | 5.1 | CC(C)OC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 | nan | ||
CHEMBL1350415 | 25270 | 6 | None | -1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 412 | 5 | 1 | 4 | 5.1 | CC(C)OC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 | nan | ||
1283502 | 46393 | 12 | None | 4 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 7 | 1 | 7 | 4.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(CN3CCOCC3)c12 | nan | ||
CHEMBL1538792 | 46393 | 12 | None | 4 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 440 | 7 | 1 | 7 | 4.2 | CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(CN3CCOCC3)c12 | nan | ||
44287999 | 161937 | 0 | None | 275 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41673 | 161937 | 0 | None | 275 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
4896972 | 24251 | 9 | None | -2 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 457 | 5 | 1 | 6 | 4.6 | Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1 | nan | ||
CHEMBL1341841 | 24251 | 9 | None | -2 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 457 | 5 | 1 | 6 | 4.6 | Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1 | nan | ||
9805674 | 61317 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 491 | 9 | 2 | 7 | 5.3 | CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771261 | 61317 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 491 | 9 | 2 | 7 | 5.3 | CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
44229547 | 193593 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 373 | 7 | 1 | 8 | 3.0 | CCc1oc(SCc2cc(N3CCOCC3)cc(NCC#N)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL551197 | 193593 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 373 | 7 | 1 | 8 | 3.0 | CCc1oc(SCc2cc(N3CCOCC3)cc(NCC#N)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
45270796 | 193946 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 355 | 7 | 1 | 7 | 2.5 | CCc1oc(CCc2cc(N3CCOCC3)cc(NCC#N)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL556183 | 193946 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 355 | 7 | 1 | 7 | 2.5 | CCc1oc(CCc2cc(N3CCOCC3)cc(NCC#N)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
44288023 | 100833 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 483 | 10 | 5 | 3 | 3.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL296523 | 100833 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 483 | 10 | 5 | 3 | 3.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
4876785 | 43602 | 7 | None | -1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 442 | 5 | 2 | 7 | 2.8 | COc1ccc(NC(=O)c2nnc(O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 | nan | ||
CHEMBL1511420 | 43602 | 7 | None | -1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 442 | 5 | 2 | 7 | 2.8 | COc1ccc(NC(=O)c2nnc(O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 | nan | ||
44287730 | 160510 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 457 | 11 | 5 | 3 | 3.0 | N=C(N)NCCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41166 | 160510 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 457 | 11 | 5 | 3 | 3.0 | N=C(N)NCCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
11755611 | 168174 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 497 | 9 | 4 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL43710 | 168174 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 497 | 9 | 4 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
44229621 | 194434 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 369 | 8 | 1 | 7 | 2.9 | CCc1oc(CCc2cc(N3CCOCC3)cc(NCCC#N)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL560921 | 194434 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 369 | 8 | 1 | 7 | 2.9 | CCc1oc(CCc2cc(N3CCOCC3)cc(NCCC#N)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
44288257 | 168231 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL43753 | 168231 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
647823 | 54046 | 7 | None | -2 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 470 | 9 | 1 | 9 | 4.1 | COc1ccccc1CN(Cc1cc2cc(C)ccc2nc1O)Cc1nnnn1Cc1ccco1 | nan | ||
CHEMBL1608455 | 54046 | 7 | None | -2 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 470 | 9 | 1 | 9 | 4.1 | COc1ccccc1CN(Cc1cc2cc(C)ccc2nc1O)Cc1nnnn1Cc1ccco1 | nan | ||
44288137 | 167668 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL433627 | 167668 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
45272520 | 194090 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 358 | 7 | 1 | 6 | 3.4 | CCc1oc(CCc2cc(N3CCOCC3)cc(NC(C)C)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL557648 | 194090 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 358 | 7 | 1 | 6 | 3.4 | CCc1oc(CCc2cc(N3CCOCC3)cc(NC(C)C)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
9651051 | 108632 | 4 | None | -1 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 334 | 7 | 1 | 6 | 2.1 | CCCCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 | nan | ||
CHEMBL3213775 | 108632 | 4 | None | -1 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 334 | 7 | 1 | 6 | 2.1 | CCCCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 | nan | ||
2330392 | 21628 | 7 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 286 | 0 | 1 | 3 | 4.4 | Nc1c2c(nc3sc4c(c13)CCCC4)CCCCCC2 | nan | ||
CHEMBL1319576 | 21628 | 7 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 286 | 0 | 1 | 3 | 4.4 | Nc1c2c(nc3sc4c(c13)CCCC4)CCCCCC2 | nan | ||
162651924 | 179774 | 0 | None | -56 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 5195 | 171 | 80 | 72 | -22.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
CHEMBL4751466 | 179774 | 0 | None | -56 | 4 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 5195 | 171 | 80 | 72 | -22.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
44517723 | 193213 | 0 | None | 5 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 581 | 8 | 1 | 4 | 6.0 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL540466 | 193213 | 0 | None | 5 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 581 | 8 | 1 | 4 | 6.0 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
44288067 | 165808 | 0 | None | 57 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 513 | 9 | 5 | 4 | 3.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL42747 | 165808 | 0 | None | 57 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 513 | 9 | 5 | 4 | 3.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
162652708 | 183078 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 669 | 15 | 7 | 5 | 3.4 | N/C(=N/C(=O)NCCNC(=O)C1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4751668 | 183078 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 669 | 15 | 7 | 5 | 3.4 | N/C(=N/C(=O)NCCNC(=O)C1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802795 | 183078 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 669 | 15 | 7 | 5 | 3.4 | N/C(=N/C(=O)NCCNC(=O)C1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
44288395 | 162022 | 0 | None | 3 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41686 | 162022 | 0 | None | 3 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
1454987 | 48972 | 6 | None | -2 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 412 | 6 | 1 | 4 | 4.6 | COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(C(C)(C)C)cc1C | nan | ||
CHEMBL1562842 | 48972 | 6 | None | -2 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 412 | 6 | 1 | 4 | 4.6 | COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(C(C)(C)C)cc1C | nan | ||
826220 | 28332 | 16 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 4.9 | O=C(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 | nan | ||
CHEMBL1376342 | 28332 | 16 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 4.9 | O=C(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 | nan | ||
45271626 | 195988 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 330 | 6 | 1 | 6 | 2.6 | CCc1oc(CCc2cc(N3CCOCC3)cc(NC)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL571013 | 195988 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 330 | 6 | 1 | 6 | 2.6 | CCc1oc(CCc2cc(N3CCOCC3)cc(NC)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
649706 | 20294 | 2 | None | 2 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 5 | 0 | 7 | 4.3 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | nan | ||
CHEMBL1307319 | 20294 | 2 | None | 2 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 5 | 0 | 7 | 4.3 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | nan | ||
3200707 | 54196 | 2 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 479 | 7 | 1 | 8 | 3.5 | O=C(NC1CCCCC1)C(c1ccncc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnsn1 | nan | ||
CHEMBL1609697 | 54196 | 2 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 479 | 7 | 1 | 8 | 3.5 | O=C(NC1CCCCC1)C(c1ccncc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnsn1 | nan | ||
3206677 | 20899 | 4 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 351 | 5 | 2 | 3 | 4.1 | Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C | nan | ||
CHEMBL1312220 | 20899 | 4 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 351 | 5 | 2 | 3 | 4.1 | Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C | nan | ||
4287464 | 55072 | 3 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 351 | 2 | 0 | 1 | 5.1 | Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 | nan | ||
CHEMBL1381600 | 55072 | 3 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 351 | 2 | 0 | 1 | 5.1 | Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 | nan | ||
CHEMBL1619019 | 55072 | 3 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 351 | 2 | 0 | 1 | 5.1 | Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 | nan | ||
44288053 | 168083 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 458 | 11 | 5 | 4 | 2.3 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccn1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL43628 | 168083 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 458 | 11 | 5 | 4 | 2.3 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccn1 | 10.1016/s0960-894x(00)00292-4 | ||
44229544 | 193415 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 372 | 6 | 1 | 8 | 2.5 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCC#N)n2)n(C)c1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL549699 | 193415 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 372 | 6 | 1 | 8 | 2.5 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCC#N)n2)n(C)c1C | 10.1016/j.bmcl.2009.05.069 | ||
5708012 | 24672 | 10 | None | 1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 340 | 5 | 0 | 3 | 5.3 | COc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 | nan | ||
CHEMBL1345334 | 24672 | 10 | None | 1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 340 | 5 | 0 | 3 | 5.3 | COc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 | nan | ||
5806576 | 34290 | 8 | None | -1 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 373 | 4 | 0 | 5 | 4.8 | N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc(Cl)cc1 | nan | ||
CHEMBL1428935 | 34290 | 8 | None | -1 | 4 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 373 | 4 | 0 | 5 | 4.8 | N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc(Cl)cc1 | nan | ||
4140078 | 25646 | 11 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.6 | Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C | nan | ||
CHEMBL1353428 | 25646 | 11 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.6 | Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C | nan | ||
162651402 | 179602 | 0 | None | -338 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 5221 | 175 | 80 | 73 | -23.1 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
CHEMBL4749279 | 179602 | 0 | None | -338 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 5221 | 175 | 80 | 73 | -23.1 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
5740982 | 31145 | 7 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 366 | 5 | 0 | 3 | 5.1 | Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 | nan | ||
CHEMBL1402158 | 31145 | 7 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 366 | 5 | 0 | 3 | 5.1 | Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 | nan | ||
45269121 | 194350 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 398 | 7 | 1 | 6 | 3.5 | CCc1oc(CCc2cc(N3CCOCC3)cc(NCC(F)(F)F)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL560182 | 194350 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 398 | 7 | 1 | 6 | 3.5 | CCc1oc(CCc2cc(N3CCOCC3)cc(NCC(F)(F)F)n2)nc1C | 10.1016/j.bmcl.2009.05.069 | ||
2897425 | 20974 | 11 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 394 | 9 | 1 | 5 | 4.2 | CCN(CC)CC(O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 | nan | ||
CHEMBL1312713 | 20974 | 11 | None | 1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 394 | 9 | 1 | 5 | 4.2 | CCN(CC)CC(O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 | nan | ||
1186757 | 42612 | 8 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 375 | 4 | 1 | 7 | 2.1 | O=c1c2ccccc2nc2c3ccccc3c(NCCN3CCOCC3)nn12 | nan | ||
CHEMBL1502859 | 42612 | 8 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 375 | 4 | 1 | 7 | 2.1 | O=c1c2ccccc2nc2c3ccccc3c(NCCN3CCOCC3)nn12 | nan | ||
1249075 | 50961 | 7 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 429 | 4 | 1 | 4 | 5.3 | CN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 | nan | ||
CHEMBL1580409 | 50961 | 7 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 429 | 4 | 1 | 4 | 5.3 | CN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 | nan | ||
254021 | 162565 | 24 | None | -3 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 223 | 0 | 1 | 3 | 2.3 | Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2 | nan | ||
CHEMBL417727 | 162565 | 24 | None | -3 | 4 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 223 | 0 | 1 | 3 | 2.3 | Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2 | nan | ||
162651028 | 183069 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 683 | 16 | 7 | 5 | 3.8 | N/C(=N/C(=O)NCCNC(=O)CC1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4750988 | 183069 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 683 | 16 | 7 | 5 | 3.8 | N/C(=N/C(=O)NCCNC(=O)CC1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802711 | 183069 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 683 | 16 | 7 | 5 | 3.8 | N/C(=N/C(=O)NCCNC(=O)CC1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
1201829 | 45636 | 11 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.7 | COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccc(Cl)cc3)n2)c1 | nan | ||
CHEMBL1531745 | 45636 | 11 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.7 | COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccc(Cl)cc3)n2)c1 | nan | ||
44287982 | 165703 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL42686 | 165703 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
1505224 | 33130 | 12 | None | 3 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 392 | 5 | 2 | 9 | 2.1 | COC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 | nan | ||
CHEMBL1419096 | 33130 | 12 | None | 3 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 392 | 5 | 2 | 9 | 2.1 | COC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 | nan | ||
4526399 | 39179 | 10 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 500 | 5 | 0 | 7 | 5.1 | COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc4ccccc4c3)cc12 | nan | ||
CHEMBL1471779 | 39179 | 10 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 500 | 5 | 0 | 7 | 5.1 | COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc4ccccc4c3)cc12 | nan | ||
1220296 | 42211 | 9 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 5.2 | Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 | nan | ||
CHEMBL1499276 | 42211 | 9 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 5.2 | Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 | nan | ||
9566117 | 108444 | 11 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 317 | 5 | 2 | 2 | 3.4 | S=C(NCCc1ccccc1)N/N=C/c1ccccc1Cl | nan | ||
CHEMBL3211272 | 108444 | 11 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 317 | 5 | 2 | 2 | 3.4 | S=C(NCCc1ccccc1)N/N=C/c1ccccc1Cl | nan | ||
2376964 | 38763 | 5 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 5.3 | Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl | nan | ||
CHEMBL1468302 | 38763 | 5 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 5.3 | Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl | nan | ||
44288236 | 166337 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 573 | 10 | 4 | 3 | 4.7 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL42861 | 166337 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 573 | 10 | 4 | 3 | 4.7 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
831603 | 51574 | 14 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 330 | 5 | 0 | 5 | 4.3 | COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1 | nan | ||
CHEMBL1585445 | 51574 | 14 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 330 | 5 | 0 | 5 | 4.3 | COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1 | nan | ||
3198 | 203802 | 73 | None | -18 | 36 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL1201049 | 203802 | 73 | None | -18 | 36 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
CHEMBL808 | 203802 | 73 | None | -18 | 36 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
1302588 | 55346 | 8 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | ||
CHEMBL1457093 | 55346 | 8 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | ||
CHEMBL1621407 | 55346 | 8 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | ||
2609912 | 48590 | 7 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 392 | 5 | 0 | 7 | 4.1 | COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1 | nan | ||
CHEMBL1559259 | 48590 | 7 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 392 | 5 | 0 | 7 | 4.1 | COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1 | nan | ||
162648914 | 183059 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 753 | 17 | 7 | 5 | 4.7 | N/C(=N/C(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4746354 | 183059 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 753 | 17 | 7 | 5 | 4.7 | N/C(=N/C(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802592 | 183059 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 753 | 17 | 7 | 5 | 4.7 | N/C(=N/C(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
3706900 | 34151 | 8 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 3.5 | CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O | nan | ||
CHEMBL1427745 | 34151 | 8 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 405 | 7 | 1 | 4 | 3.5 | CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O | nan | ||
6413289 | 44597 | 13 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 3 | 0 | 3 | 5.8 | Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl | nan | ||
CHEMBL1522356 | 44597 | 13 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 3 | 0 | 3 | 5.8 | Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl | nan | ||
1183477 | 20973 | 16 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 375 | 4 | 1 | 4 | 4.7 | COC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC | nan | ||
CHEMBL1312703 | 20973 | 16 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 375 | 4 | 1 | 4 | 4.7 | COC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC | nan | ||
20846851 | 107592 | 3 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 4.4 | O=C(N/N=C/c1ccco1)c1ccccc1OCc1ccc(Br)cc1 | nan | ||
CHEMBL3195229 | 107592 | 3 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 398 | 6 | 1 | 4 | 4.4 | O=C(N/N=C/c1ccco1)c1ccccc1OCc1ccc(Br)cc1 | nan | ||
2181167 | 54784 | 4 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 367 | 7 | 1 | 2 | 5.0 | Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 | nan | ||
CHEMBL1308845 | 54784 | 4 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 367 | 7 | 1 | 2 | 5.0 | Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 | nan | ||
CHEMBL1616638 | 54784 | 4 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 367 | 7 | 1 | 2 | 5.0 | Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 | nan | ||
1477664 | 46300 | 20 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 5.7 | Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Cl)cc1 | nan | ||
CHEMBL1537995 | 46300 | 20 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 359 | 5 | 0 | 4 | 5.7 | Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Cl)cc1 | nan | ||
5338258 | 49628 | 5 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 259 | 3 | 0 | 2 | 4.1 | O=C(/C=C/c1cccc2ccccc12)c1ccncc1 | nan | ||
CHEMBL1568243 | 49628 | 5 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 259 | 3 | 0 | 2 | 4.1 | O=C(/C=C/c1cccc2ccccc12)c1ccncc1 | nan | ||
1894428 | 34569 | 10 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 388 | 8 | 0 | 7 | 3.8 | CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(N(C)C)n1 | nan | ||
CHEMBL1431004 | 34569 | 10 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 388 | 8 | 0 | 7 | 3.8 | CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(N(C)C)n1 | nan | ||
665164 | 54837 | 5 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 363 | 7 | 0 | 5 | 3.6 | CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1 | nan | ||
CHEMBL1348426 | 54837 | 5 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 363 | 7 | 0 | 5 | 3.6 | CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1 | nan | ||
CHEMBL1617044 | 54837 | 5 | None | 1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 363 | 7 | 0 | 5 | 3.6 | CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1 | nan | ||
647568 | 40743 | 4 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 335 | 4 | 0 | 6 | 4.1 | CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
CHEMBL1487131 | 40743 | 4 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 335 | 4 | 0 | 6 | 4.1 | CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
1543852 | 33695 | 13 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 5.6 | N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1423799 | 33695 | 13 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 371 | 4 | 0 | 4 | 5.6 | N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)c(Cl)c1 | nan | ||
2198291 | 34124 | 10 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 401 | 6 | 1 | 2 | 6.5 | O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1 | nan | ||
CHEMBL1427504 | 34124 | 10 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 401 | 6 | 1 | 2 | 6.5 | O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1 | nan | ||
2450538 | 37016 | 7 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1ccccc1 | nan | ||
CHEMBL1453672 | 37016 | 7 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1ccccc1 | nan | ||
2385257 | 41597 | 6 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.9 | CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 | nan | ||
CHEMBL1493500 | 41597 | 6 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.9 | CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 | nan | ||
5281371 | 34062 | 13 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 426 | 5 | 0 | 7 | 4.4 | C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)/C(C)=C\C | nan | ||
CHEMBL1426896 | 34062 | 13 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 426 | 5 | 0 | 7 | 4.4 | C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)/C(C)=C\C | nan | ||
44288112 | 99745 | 0 | None | 2238 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL288355 | 99745 | 0 | None | 2238 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
826626 | 54803 | 9 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | ||
CHEMBL1310577 | 54803 | 9 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | ||
CHEMBL1616775 | 54803 | 9 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | ||
876519 | 55300 | 8 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 345 | 4 | 0 | 2 | 4.4 | Cc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 | nan | ||
CHEMBL1452153 | 55300 | 8 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 345 | 4 | 0 | 2 | 4.4 | Cc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 | nan | ||
CHEMBL1621027 | 55300 | 8 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 345 | 4 | 0 | 2 | 4.4 | Cc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 | nan | ||
2446403 | 23479 | 3 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 391 | 6 | 1 | 3 | 5.2 | O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 | nan | ||
CHEMBL1335124 | 23479 | 3 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 391 | 6 | 1 | 3 | 5.2 | O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 | nan | ||
1141823 | 28632 | 5 | None | 2 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.8 | Cc1cccc(N=C(S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3nc2O)c1 | nan | ||
CHEMBL1379143 | 28632 | 5 | None | 2 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 422 | 6 | 2 | 4 | 4.8 | Cc1cccc(N=C(S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3nc2O)c1 | nan | ||
9550576 | 30348 | 6 | None | 2 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 3.6 | Cc1ccccc1C(=O)c1cccn1CC(=O)NCCN1CCN(c2cccc(C)c2C)CC1 | nan | ||
CHEMBL1393538 | 30348 | 6 | None | 2 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 3.6 | Cc1ccccc1C(=O)c1cccn1CC(=O)NCCN1CCN(c2cccc(C)c2C)CC1 | nan | ||
6871377 | 107199 | 1 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 295 | 3 | 1 | 4 | 3.7 | CC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O | nan | ||
CHEMBL3190644 | 107199 | 1 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 295 | 3 | 1 | 4 | 3.7 | CC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O | nan | ||
714054 | 22538 | 9 | None | 1 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 331 | 4 | 0 | 5 | 4.2 | N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCCCC1 | nan | ||
CHEMBL1327690 | 22538 | 9 | None | 1 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 331 | 4 | 0 | 5 | 4.2 | N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCCCC1 | nan | ||
955150 | 23633 | 9 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 335 | 4 | 0 | 3 | 5.2 | O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 | nan | ||
CHEMBL1336318 | 23633 | 9 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 335 | 4 | 0 | 3 | 5.2 | O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 | nan | ||
1490113 | 31744 | 17 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 446 | 4 | 0 | 4 | 5.6 | Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl | nan | ||
CHEMBL1407634 | 31744 | 17 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 446 | 4 | 0 | 4 | 5.6 | Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl | nan | ||
1460705 | 55217 | 4 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 326 | 3 | 1 | 2 | 4.4 | CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc21 | nan | ||
CHEMBL1414494 | 55217 | 4 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 326 | 3 | 1 | 2 | 4.4 | CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc21 | nan | ||
CHEMBL1620238 | 55217 | 4 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 326 | 3 | 1 | 2 | 4.4 | CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc21 | nan | ||
2744454 | 36091 | 15 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 314 | 3 | 1 | 3 | 4.7 | O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1 | nan | ||
CHEMBL1446166 | 36091 | 15 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 314 | 3 | 1 | 3 | 4.7 | O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1 | nan | ||
2577652 | 50330 | 7 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 390 | 4 | 0 | 8 | 3.5 | COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1 | nan | ||
CHEMBL1574689 | 50330 | 7 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 390 | 4 | 0 | 8 | 3.5 | COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1 | nan | ||
5854588 | 54279 | 10 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 5.2 | Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1 | nan | ||
CHEMBL1610409 | 54279 | 10 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 5.2 | Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1 | nan | ||
4525145 | 55349 | 4 | None | -16 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
6140197 | 55349 | 4 | None | -16 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
73945770 | 55349 | 4 | None | -16 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
CHEMBL1462215 | 55349 | 4 | None | -16 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
CHEMBL1621471 | 55349 | 4 | None | -16 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | ||
9869041 | 61315 | 7 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 463 | 7 | 2 | 7 | 4.5 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771259 | 61315 | 7 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 463 | 7 | 2 | 7 | 4.5 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
162654570 | 183087 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 655 | 15 | 7 | 5 | 3.0 | N/C(=N/C(=O)NCCNC(=O)C1CCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4755079 | 183087 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 655 | 15 | 7 | 5 | 3.0 | N/C(=N/C(=O)NCCNC(=O)C1CCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802896 | 183087 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 655 | 15 | 7 | 5 | 3.0 | N/C(=N/C(=O)NCCNC(=O)C1CCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
44229546 | 194764 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 359 | 6 | 1 | 8 | 2.8 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCC#N)n2)oc1C | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL563011 | 194764 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 359 | 6 | 1 | 8 | 2.8 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCC#N)n2)oc1C | 10.1016/j.bmcl.2009.05.069 | ||
6858398 | 108283 | 7 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 322 | 6 | 0 | 6 | 3.1 | COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C)cc1 | nan | ||
CHEMBL3208997 | 108283 | 7 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 322 | 6 | 0 | 6 | 3.1 | COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C)cc1 | nan | ||
9563579 | 72152 | 8 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 325 | 5 | 0 | 4 | 4.7 | C/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 | nan | ||
CHEMBL1990096 | 72152 | 8 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 325 | 5 | 0 | 4 | 4.7 | C/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 | nan | ||
4557532 | 22692 | 7 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 434 | 3 | 1 | 5 | 5.6 | Cc1nc(N2CCCCC2)c2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)sc2n1 | nan | ||
CHEMBL1328939 | 22692 | 7 | None | -1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 434 | 3 | 1 | 5 | 5.6 | Cc1nc(N2CCCCC2)c2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)sc2n1 | nan | ||
649757 | 47271 | 15 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 383 | 3 | 1 | 5 | 5.0 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2 | nan | ||
CHEMBL1545971 | 47271 | 15 | None | -1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 383 | 3 | 1 | 5 | 5.0 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2 | nan | ||
3235942 | 40003 | 7 | None | 1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 415 | 4 | 1 | 7 | 3.4 | COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1 | nan | ||
CHEMBL1480648 | 40003 | 7 | None | 1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 415 | 4 | 1 | 7 | 3.4 | COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1 | nan | ||
664856 | 20440 | 8 | None | -1 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 281 | 1 | 0 | 4 | 3.9 | Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1 | nan | ||
CHEMBL1308461 | 20440 | 8 | None | -1 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 281 | 1 | 0 | 4 | 3.9 | Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1 | nan | ||
1183030 | 195046 | 13 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 5.5 | Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1 | nan | ||
CHEMBL564979 | 195046 | 13 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 394 | 6 | 1 | 4 | 5.5 | Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1 | nan | ||
1998473 | 29495 | 10 | None | 2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 313 | 6 | 0 | 4 | 3.7 | CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 | nan | ||
CHEMBL1386511 | 29495 | 10 | None | 2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 313 | 6 | 0 | 4 | 3.7 | CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 | nan | ||
2311088 | 55361 | 4 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 387 | 3 | 0 | 2 | 5.2 | COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 | nan | ||
CHEMBL1457690 | 55361 | 4 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 387 | 3 | 0 | 2 | 5.2 | COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 | nan | ||
CHEMBL1621585 | 55361 | 4 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 387 | 3 | 0 | 2 | 5.2 | COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 | nan | ||
2173045 | 29149 | 7 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 346 | 5 | 2 | 3 | 3.1 | Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1 | nan | ||
CHEMBL1383592 | 29149 | 7 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 346 | 5 | 2 | 3 | 3.1 | Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1 | nan | ||
972410 | 55360 | 10 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 325 | 4 | 1 | 2 | 4.7 | CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1 | nan | ||
CHEMBL1458887 | 55360 | 10 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 325 | 4 | 1 | 2 | 4.7 | CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1 | nan | ||
CHEMBL1621543 | 55360 | 10 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 325 | 4 | 1 | 2 | 4.7 | CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1 | nan | ||
663290 | 20808 | 11 | None | -3 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 5.0 | Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 | nan | ||
CHEMBL1311570 | 20808 | 11 | None | -3 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 5.0 | Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 | nan | ||
44287924 | 167922 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL43523 | 167922 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
44287829 | 165599 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 497 | 9 | 4 | 3 | 3.6 | N=C(N)NCCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL42625 | 165599 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 497 | 9 | 4 | 3 | 3.6 | N=C(N)NCCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2ccccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
2940376 | 46446 | 10 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 496 | 10 | 1 | 8 | 4.0 | COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1 | nan | ||
CHEMBL1539256 | 46446 | 10 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 496 | 10 | 1 | 8 | 4.0 | COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1 | nan | ||
5290139 | 22764 | 12 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 496 | 11 | 2 | 10 | 4.6 | CCOC(=O)CCCCC(=O)c1[nH]c(O)nc1CSc1nnc2c3ccccc3n(C(C)C)c2n1 | nan | ||
CHEMBL1329549 | 22764 | 12 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 496 | 11 | 2 | 10 | 4.6 | CCOC(=O)CCCCC(=O)c1[nH]c(O)nc1CSc1nnc2c3ccccc3n(C(C)C)c2n1 | nan | ||
1798157 | 27024 | 12 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 342 | 5 | 2 | 2 | 4.2 | CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C | nan | ||
CHEMBL1366620 | 27024 | 12 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 342 | 5 | 2 | 2 | 4.2 | CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C | nan | ||
1235256 | 29934 | 11 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 5.2 | Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1 | nan | ||
CHEMBL1389982 | 29934 | 11 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 5.2 | Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1 | nan | ||
8178372 | 53026 | 2 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | ||
CHEMBL1599610 | 53026 | 2 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | ||
15944687 | 24399 | 3 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 370 | 4 | 0 | 6 | 4.7 | COC(=O)c1cc2occc2n1Cc1nc(-c2ccccc2Cl)oc1C | nan | ||
CHEMBL1342925 | 24399 | 3 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 370 | 4 | 0 | 6 | 4.7 | COC(=O)c1cc2occc2n1Cc1nc(-c2ccccc2Cl)oc1C | nan | ||
664816 | 35421 | 7 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 349 | 6 | 1 | 6 | 4.4 | COc1ccc(-c2nc(C#N)c(NC(C)c3ccccc3)o2)cc1OC | nan | ||
CHEMBL1439981 | 35421 | 7 | None | -2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 349 | 6 | 1 | 6 | 4.4 | COc1ccc(-c2nc(C#N)c(NC(C)c3ccccc3)o2)cc1OC | nan | ||
2890146 | 49934 | 10 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 4.9 | COc1ccc(-c2[nH]nc3c2C(c2ccc(OC)c(OC)c2)N(c2ccccc2)C3=O)cc1 | nan | ||
CHEMBL1570844 | 49934 | 10 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 441 | 6 | 1 | 5 | 4.9 | COc1ccc(-c2[nH]nc3c2C(c2ccc(OC)c(OC)c2)N(c2ccccc2)C3=O)cc1 | nan | ||
2930337 | 38793 | 8 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 331 | 2 | 0 | 3 | 2.6 | O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1 | nan | ||
CHEMBL1468490 | 38793 | 8 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 331 | 2 | 0 | 3 | 2.6 | O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1 | nan | ||
101430 | 95986 | 18 | None | -1698 | 5 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 343 | 4 | 4 | 9 | 0.2 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | nan | ||
CHEMBL262083 | 95986 | 18 | None | -1698 | 5 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 343 | 4 | 4 | 9 | 0.2 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | nan | ||
44288390 | 161285 | 0 | None | 22 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41457 | 161285 | 0 | None | 22 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
44287923 | 141105 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 516 | 12 | 7 | 5 | 1.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL38531 | 141105 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 516 | 12 | 7 | 5 | 1.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
162658382 | 180452 | 0 | None | -4 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 5831 | 196 | 92 | 80 | -23.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
CHEMBL4759334 | 180452 | 0 | None | -4 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 5831 | 196 | 92 | 80 | -23.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
9590479 | 108660 | 9 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 386 | 6 | 1 | 3 | 5.0 | O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl | nan | ||
CHEMBL3214137 | 108660 | 9 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 386 | 6 | 1 | 3 | 5.0 | O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl | nan | ||
2182602 | 55431 | 4 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 5.0 | Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 | nan | ||
CHEMBL1483730 | 55431 | 4 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 5.0 | Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 | nan | ||
CHEMBL1622175 | 55431 | 4 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 361 | 8 | 0 | 2 | 5.0 | Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 | nan | ||
2235311 | 43187 | 9 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 461 | 7 | 0 | 4 | 6.4 | O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Br)cc1 | nan | ||
CHEMBL1507807 | 43187 | 9 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 461 | 7 | 0 | 4 | 6.4 | O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Br)cc1 | nan | ||
650606 | 49008 | 11 | None | 1 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 481 | 8 | 1 | 7 | 4.1 | O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1 | nan | ||
CHEMBL1563162 | 49008 | 11 | None | 1 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 481 | 8 | 1 | 7 | 4.1 | O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1 | nan | ||
659248 | 192926 | 10 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 258 | 5 | 1 | 2 | 3.5 | CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL528708 | 192926 | 10 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 258 | 5 | 1 | 2 | 3.5 | CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
CHEMBL530291 | 192926 | 10 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 258 | 5 | 1 | 2 | 3.5 | CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | ||
2313223 | 55628 | 3 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 353 | 3 | 0 | 2 | 4.5 | COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 | nan | ||
CHEMBL1525599 | 55628 | 3 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 353 | 3 | 0 | 2 | 4.5 | COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 | nan | ||
CHEMBL1623694 | 55628 | 3 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 353 | 3 | 0 | 2 | 4.5 | COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 | nan | ||
943274 | 43418 | 9 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 348 | 2 | 1 | 2 | 5.2 | Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 | nan | ||
CHEMBL1509886 | 43418 | 9 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 348 | 2 | 1 | 2 | 5.2 | Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 | nan | ||
6892993 | 107793 | 3 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 378 | 7 | 1 | 6 | 3.8 | CCOc1ccc(Oc2c(/C=N/NC(C)=O)c(C)nn2-c2ccccc2)cc1 | nan | ||
CHEMBL3197426 | 107793 | 3 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 378 | 7 | 1 | 6 | 3.8 | CCOc1ccc(Oc2c(/C=N/NC(C)=O)c(C)nn2-c2ccccc2)cc1 | nan | ||
44287971 | 162890 | 0 | None | 165 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41981 | 162890 | 0 | None | 165 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
45269117 | 194284 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 358 | 8 | 1 | 6 | 3.4 | CCCNc1cc(N2CCOCC2)cc(CCc2nc(C)c(CC)o2)n1 | 10.1016/j.bmcl.2009.05.069 | ||
CHEMBL559593 | 194284 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 358 | 8 | 1 | 6 | 3.4 | CCCNc1cc(N2CCOCC2)cc(CCc2nc(C)c(CC)o2)n1 | 10.1016/j.bmcl.2009.05.069 | ||
1481087 | 29596 | 14 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 328 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccccc1)OCc1cc(-c2ccccc2Cl)on1 | nan | ||
CHEMBL1387309 | 29596 | 14 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 328 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccccc1)OCc1cc(-c2ccccc2Cl)on1 | nan | ||
1780041 | 28481 | 16 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 338 | 6 | 0 | 6 | 4.0 | Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 | nan | ||
CHEMBL1377743 | 28481 | 16 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 338 | 6 | 0 | 6 | 4.0 | Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 | nan | ||
2169010 | 51602 | 11 | None | -4 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 377 | 10 | 1 | 4 | 4.6 | COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1 | nan | ||
CHEMBL1585652 | 51602 | 11 | None | -4 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 377 | 10 | 1 | 4 | 4.6 | COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1 | nan | ||
4246341 | 26310 | 4 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 405 | 4 | 0 | 8 | 3.2 | COc1ccc(-c2nnc3sc(C(C)N4C(=O)c5ccccc5C4=O)nn23)cc1 | nan | ||
CHEMBL1360426 | 26310 | 4 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 405 | 4 | 0 | 8 | 3.2 | COc1ccc(-c2nnc3sc(C(C)N4C(=O)c5ccccc5C4=O)nn23)cc1 | nan | ||
2297248 | 55283 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 339 | 9 | 0 | 3 | 4.9 | c1ccc(COc2ccc(OCCCCN3CCCCC3)cc2)cc1 | nan | ||
CHEMBL1453832 | 55283 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 339 | 9 | 0 | 3 | 4.9 | c1ccc(COc2ccc(OCCCCN3CCCCC3)cc2)cc1 | nan | ||
CHEMBL1620870 | 55283 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 339 | 9 | 0 | 3 | 4.9 | c1ccc(COc2ccc(OCCCCN3CCCCC3)cc2)cc1 | nan | ||
162661307 | 183125 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 677 | 16 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)Cc1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4765023 | 183125 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 677 | 16 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)Cc1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803242 | 183125 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 677 | 16 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)Cc1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
665910 | 45189 | 7 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 390 | 2 | 1 | 6 | 3.8 | Clc1ccc(C2=Nn3c(nnc3-c3[nH]nc4c3CCC4)SC2)cc1Cl | nan | ||
CHEMBL1527817 | 45189 | 7 | None | -1 | 3 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 390 | 2 | 1 | 6 | 3.8 | Clc1ccc(C2=Nn3c(nnc3-c3[nH]nc4c3CCC4)SC2)cc1Cl | nan | ||
972422 | 53414 | 10 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 314 | 3 | 2 | 3 | 3.9 | Cc1ccc(NC(S)=NCc2ccc3c(c2)OCO3)cc1C | nan | ||
CHEMBL1603366 | 53414 | 10 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 314 | 3 | 2 | 3 | 3.9 | Cc1ccc(NC(S)=NCc2ccc3c(c2)OCO3)cc1C | nan | ||
3081064 | 198751 | 11 | None | - | 0 | Human | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 398 | 9 | 4 | 3 | 3.4 | N=C(NCCCc1c[nH]cn1)NCCC(c1cc(F)cc(F)c1)c1ccccn1 | 10.1016/0960-894X(95)00369-5 | ||
CHEMBL59832 | 198751 | 11 | None | - | 0 | Human | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 398 | 9 | 4 | 3 | 3.4 | N=C(NCCCc1c[nH]cn1)NCCC(c1cc(F)cc(F)c1)c1ccccn1 | 10.1016/0960-894X(95)00369-5 | ||
9916525 | 111878 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@@H]2CCCNC2)c2ccccc12 | 10.1021/jm970512x | ||
CHEMBL329536 | 111878 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@@H]2CCCNC2)c2ccccc12 | 10.1021/jm970512x | ||
CHEMBL187555 | 66806 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 591 | 10 | 4 | 9 | 4.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3OC)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
10458754 | 36635 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 502 | 8 | 1 | 5 | 5.3 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3CO)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145056 | 36635 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 502 | 8 | 1 | 5 | 5.3 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3CO)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
9982218 | 101294 | 4 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL1435188 | 101294 | 4 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL299879 | 101294 | 4 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL187620 | 66821 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 615 | 10 | 4 | 10 | 4.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3OC)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
44362574 | 33751 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 462 | 7 | 0 | 4 | 6.4 | CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL142427 | 33751 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 462 | 7 | 0 | 4 | 6.4 | CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
1545 | 2270 | 0 | None | -70 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 8590988 | ||||
1504 | 2767 | 7 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
1518 | 2767 | 7 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
1521 | 2767 | 7 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
24868177 | 2767 | 7 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
44288922 | 2767 | 7 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
77068007 | 2767 | 7 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
90479759 | 2767 | 7 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
CHEMBL438945 | 2767 | 7 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
1528 | 623 | 18 | None | -1 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | 529 | 13 | 6 | 4 | 1.8 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N | 9806339 | ||
5311022 | 623 | 18 | None | -1 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | 529 | 13 | 6 | 4 | 1.8 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N | 9806339 | ||
CHEMBL1774204 | 623 | 18 | None | -1 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | Guide to Pharmacology | 529 | 13 | 6 | 4 | 1.8 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N | 9806339 | ||
1522 | 333 | 0 | None | -158 | 5 | Human | 6.0 | pIC50 | None | 6 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
1508 | 2845 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
155817417 | 2845 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
1526 | 2273 | 0 | None | -14 | 5 | Rat | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
CHEMBL438411 | 2273 | 0 | None | -14 | 5 | Rat | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
1514 | 3003 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
1514 | 3003 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
1545 | 2270 | 0 | None | -4 | 3 | Rat | 8.3 | pIC50 | None | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
1524 | 2271 | 0 | None | 1 | 2 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
1529 | 1821 | 0 | None | 1 | 2 | Rat | 9.5 | pIC50 | None | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
1528 | 623 | 18 | None | 1 | 2 | Rat | 9.7 | pIC50 | None | 9.7 | Functional | Guide to Pharmacology | 529 | 13 | 6 | 4 | 1.8 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N | 10694200 | ||
5311022 | 623 | 18 | None | 1 | 2 | Rat | 9.7 | pIC50 | None | 9.7 | Functional | Guide to Pharmacology | 529 | 13 | 6 | 4 | 1.8 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N | 10694200 | ||
CHEMBL1774204 | 623 | 18 | None | 1 | 2 | Rat | 9.7 | pIC50 | None | 9.7 | Functional | Guide to Pharmacology | 529 | 13 | 6 | 4 | 1.8 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N | 10694200 |
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 |
1515 | 3004 | 0 | None | - | 6 | Human | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | ||||
CHEMBL269503 | 3004 | 0 | None | - | 6 | Human | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | ||||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
1504 | 2767 | 7 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
1518 | 2767 | 7 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
1521 | 2767 | 7 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
24868177 | 2767 | 7 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
44288922 | 2767 | 7 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
77068007 | 2767 | 7 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
90479759 | 2767 | 7 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
CHEMBL438945 | 2767 | 7 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
10030299 | 188626 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041306 | 136536 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746870 | 136536 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041306 | 136536 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746870 | 136536 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10030299 | 188626 | 0 | None | - | 1 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
45487448 | 195351 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 473 | 9 | 1 | 8 | 5.0 | CCc1sc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)n2)nc1CF | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL567112 | 195351 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 473 | 9 | 1 | 8 | 5.0 | CCc1sc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)n2)nc1CF | 10.1016/j.bmcl.2009.07.030 | ||
72548703 | 161019 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
CHEMBL4128926 | 161019 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
1504 | 2767 | 7 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
1518 | 2767 | 7 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
1521 | 2767 | 7 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
24868177 | 2767 | 7 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
44288922 | 2767 | 7 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
77068007 | 2767 | 7 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
90479759 | 2767 | 7 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
CHEMBL438945 | 2767 | 7 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
127041306 | 136536 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746870 | 136536 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
45487490 | 197330 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 441 | 7 | 1 | 8 | 4.8 | Cc1cccc(CNc2cc(N3CCSCC3)cc(CSc3nc(C)c(C)o3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL585669 | 197330 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 441 | 7 | 1 | 8 | 4.8 | Cc1cccc(CNc2cc(N3CCSCC3)cc(CSc3nc(C)c(C)o3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
127041306 | 136536 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746870 | 136536 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
91928728 | 208980 | 12 | None | -7 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | ||||
CHEMBL267633 | 208980 | 12 | None | -7 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | ||||
127041327 | 136607 | 0 | None | 1445 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746851 | 136607 | 0 | None | 1445 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747820 | 136607 | 0 | None | 1445 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
45487447 | 197332 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 459 | 8 | 1 | 8 | 4.8 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(CF)c(C)s3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL585711 | 197332 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 459 | 8 | 1 | 8 | 4.8 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(CF)c(C)s3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
1504 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
1518 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
1521 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
24868177 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
44288922 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
77068007 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
90479759 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
CHEMBL438945 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
127041327 | 136607 | 0 | None | 1445 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746851 | 136607 | 0 | None | 1445 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747820 | 136607 | 0 | None | 1445 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
1504 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
1518 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
1521 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
24868177 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
44288922 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
77068007 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
90479759 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
CHEMBL438945 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
10030299 | 188626 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
45487489 | 195205 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 445 | 7 | 1 | 8 | 4.7 | Cc1nc(SCc2cc(N3CCSCC3)cc(NCc3cccc(F)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL566020 | 195205 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 445 | 7 | 1 | 8 | 4.7 | Cc1nc(SCc2cc(N3CCSCC3)cc(NCc3cccc(F)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
45487435 | 195208 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 441 | 7 | 1 | 8 | 4.6 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)s3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL566041 | 195208 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 441 | 7 | 1 | 8 | 4.6 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)s3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041306 | 136536 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746870 | 136536 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041327 | 136607 | 0 | None | 1445 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746851 | 136607 | 0 | None | 1445 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747820 | 136607 | 0 | None | 1445 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
45487524 | 195350 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 439 | 8 | 1 | 8 | 4.4 | CCc1oc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)n2)nc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL567101 | 195350 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 439 | 8 | 1 | 8 | 4.4 | CCc1oc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)n2)nc1C | 10.1016/j.bmcl.2009.07.030 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
45487434 | 195207 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 451 | 7 | 1 | 8 | 4.4 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc4c(o3)CCCC4)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL566040 | 195207 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 451 | 7 | 1 | 8 | 4.4 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc4c(o3)CCCC4)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
10030299 | 188626 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041306 | 136536 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746870 | 136536 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
45487440 | 195245 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 459 | 8 | 1 | 8 | 4.8 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(CF)s3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL566255 | 195245 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 459 | 8 | 1 | 8 | 4.8 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(CF)s3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
45487464 | 195443 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 425 | 7 | 1 | 8 | 4.1 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)o3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL567719 | 195443 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 425 | 7 | 1 | 8 | 4.1 | Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)o3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041327 | 136607 | 0 | None | 1445 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746851 | 136607 | 0 | None | 1445 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747820 | 136607 | 0 | None | 1445 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
91928728 | 208980 | 12 | None | -7 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm801018u | ||||
CHEMBL267633 | 208980 | 12 | None | -7 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm801018u | ||||
1504 | 2767 | 7 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
1518 | 2767 | 7 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
1521 | 2767 | 7 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
24868177 | 2767 | 7 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
44288922 | 2767 | 7 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
77068007 | 2767 | 7 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
90479759 | 2767 | 7 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
CHEMBL438945 | 2767 | 7 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
10030299 | 188626 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
44294536 | 187815 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 557 | 10 | 2 | 8 | 6.3 | CCc1sc(CCc2cc(N3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL50184 | 187815 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 557 | 10 | 2 | 8 | 6.3 | CCc1sc(CCc2cc(N3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
127041306 | 136536 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746870 | 136536 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
45487522 | 195485 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(F)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL567928 | 195485 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(F)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
127041327 | 136607 | 0 | None | 1445 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746851 | 136607 | 0 | None | 1445 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747820 | 136607 | 0 | None | 1445 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
45487523 | 195324 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 473 | 7 | 1 | 9 | 3.5 | Cc1cccc(CNc2cc(N3CCS(=O)(=O)CC3)cc(CSc3nc(C)c(C)o3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL566889 | 195324 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 473 | 7 | 1 | 9 | 3.5 | Cc1cccc(CNc2cc(N3CCS(=O)(=O)CC3)cc(CSc3nc(C)c(C)o3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
10414488 | 200992 | 0 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 524 | 12 | 1 | 6 | 6.3 | Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm980521l | ||
CHEMBL61532 | 200992 | 0 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 524 | 12 | 1 | 6 | 6.3 | Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm980521l | ||
CHEMBL4299523 | 211827 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@H](C)CC | 10.1021/acs.jmedchem.5b00925 | ||||
45487445 | 195486 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 443 | 8 | 1 | 8 | 4.3 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(CF)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL567941 | 195486 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 443 | 8 | 1 | 8 | 4.3 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(CF)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
45487433 | 195309 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 487 | 11 | 1 | 9 | 4.3 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(COCCF)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL566664 | 195309 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 487 | 11 | 1 | 9 | 4.3 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(COCCF)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL188790 | 67055 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 585 | 9 | 4 | 9 | 4.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
44409158 | 140148 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 523 | 5 | 1 | 5 | 6.2 | CC1(F)CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL381510 | 140148 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 523 | 5 | 1 | 5 | 6.2 | CC1(F)CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
44271460 | 60026 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 473 | 13 | 2 | 5 | 7.1 | CCCCN(CCCC)CCCNc1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17450 | 60026 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 473 | 13 | 2 | 5 | 7.1 | CCCCN(CCCC)CCCNc1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
44439436 | 90093 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 5.6 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCCNC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL238729 | 90093 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 5.6 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCCNC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
16146918 | 160681 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
44342536 | 160681 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
91931438 | 160681 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
CHEMBL411800 | 160681 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
44294522 | 96340 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 556 | 11 | 2 | 7 | 7.7 | CCc1sc(CCc2cc(OC3CCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL264820 | 96340 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 556 | 11 | 2 | 7 | 7.7 | CCc1sc(CCc2cc(OC3CCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
44294698 | 192525 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 542 | 11 | 2 | 7 | 7.3 | CCc1sc(CCc2cc(OC3CCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL52282 | 192525 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 542 | 11 | 2 | 7 | 7.3 | CCc1sc(CCc2cc(OC3CCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
44439431 | 146822 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 530 | 5 | 0 | 5 | 6.0 | CN1CCC(Cn2c3ccccc3c3cc(C(=O)N4CCN(C)CC4)cc(Oc4ccc(Cl)cc4)c32)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL392943 | 146822 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 530 | 5 | 0 | 5 | 6.0 | CN1CCC(Cn2c3ccccc3c3cc(C(=O)N4CCN(C)CC4)cc(Oc4ccc(Cl)cc4)c32)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL441007 | 212128 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
44294538 | 101161 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 11 | 2 | 7 | 7.2 | CCc1sc(CCc2cc(OC(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL298983 | 101161 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 11 | 2 | 7 | 7.2 | CCc1sc(CCc2cc(OC(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL124152 | 16446 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 591 | 10 | 3 | 9 | 4.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL324990 | 110022 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 606 | 10 | 3 | 8 | 6.1 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(S)=N/CCCN2CCC(c3cccc(OC)c3)CC2)c1 | 10.1016/s0960-894x(01)00765-x | ||
9894291 | 75247 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 378 | 5 | 0 | 3 | 5.3 | CCOc1cccc([C@]2(N3CCN(c4ccccc4)CC3)CC[C@@H](C)CC2)c1 | 10.1021/ml200265m | ||
CHEMBL2046864 | 75247 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 378 | 5 | 0 | 3 | 5.3 | CCOc1cccc([C@]2(N3CCN(c4ccccc4)CC3)CC[C@@H](C)CC2)c1 | 10.1021/ml200265m | ||
10052173 | 57269 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 513 | 6 | 1 | 6 | 4.5 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
CHEMBL166606 | 57269 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 513 | 6 | 1 | 6 | 4.5 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
44439493 | 90867 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 479 | 5 | 1 | 4 | 5.9 | CN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL240221 | 90867 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 479 | 5 | 1 | 4 | 5.9 | CN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
16144579 | 166546 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
44342730 | 166546 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
91931426 | 166546 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
CHEMBL428992 | 166546 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
CHEMBL268409 | 209007 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(N)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
16146919 | 161131 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | ||
44342654 | 161131 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | ||
91931418 | 161131 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | ||
CHEMBL413232 | 161131 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | ||
21336511 | 56887 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL164897 | 56887 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
62706261 | 75251 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 362 | 4 | 0 | 3 | 4.4 | COc1ccccc1[C@@]1(N2CCN(c3ccccc3)CC2)[C@H]2C[C@H](C)C[C@H]21 | 10.1021/ml200265m | ||
CHEMBL2046869 | 75251 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 362 | 4 | 0 | 3 | 4.4 | COc1ccccc1[C@@]1(N2CCN(c3ccccc3)CC2)[C@H]2C[C@H](C)C[C@H]21 | 10.1021/ml200265m | ||
44409205 | 74678 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 534 | 7 | 0 | 6 | 5.5 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCCN3CCCCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL203433 | 74678 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 534 | 7 | 0 | 6 | 5.5 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCCN3CCCCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL115722 | 10044 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 9 | 3 | 8 | 5.1 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(S)=N/CCCN2CCN(C3CCCCC3)CC2)c1 | 10.1016/s0960-894x(01)00765-x | ||
16146061 | 168391 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
44342840 | 168391 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
91931430 | 168391 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
CHEMBL438923 | 168391 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
44439439 | 90535 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 601 | 7 | 0 | 6 | 5.4 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCN(CC(=O)N(C)C)CC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL239568 | 90535 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 601 | 7 | 0 | 6 | 5.4 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCN(CC(=O)N(C)C)CC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL189036 | 67105 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 653 | 9 | 4 | 9 | 5.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3C(F)(F)F)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
44377450 | 55289 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL162093 | 55289 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
44287999 | 161937 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41673 | 161937 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
44377460 | 52455 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 536 | 9 | 2 | 6 | 4.3 | O=[N+]([O-])c1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL159450 | 52455 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 536 | 9 | 2 | 6 | 4.3 | O=[N+]([O-])c1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
16147801 | 80080 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
44342360 | 80080 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
91931424 | 80080 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
CHEMBL214707 | 80080 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
44342809 | 160750 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | ||
91931442 | 160750 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | ||
CHEMBL412257 | 160750 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | ||
44409210 | 138500 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 521 | 7 | 0 | 6 | 5.6 | O=C1c2c(n(CCCN3CCCCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCOCC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL378587 | 138500 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 521 | 7 | 0 | 6 | 5.6 | O=C1c2c(n(CCCN3CCCCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCOCC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL266021 | 208928 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | ||||
CHEMBL410792 | 211094 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
16146329 | 82068 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
44342802 | 82068 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
91931419 | 82068 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
CHEMBL217692 | 82068 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||
44294462 | 186273 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 544 | 13 | 2 | 7 | 7.6 | CCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL48950 | 186273 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 544 | 13 | 2 | 7 | 7.6 | CCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
44439430 | 160672 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 5.6 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCNCC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL411795 | 160672 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 5.6 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCNCC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
44409242 | 140835 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 5 | 0 | 6 | 4.9 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CCN(C)C[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL383763 | 140835 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 5 | 0 | 6 | 4.9 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CCN(C)C[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
44294563 | 101262 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 530 | 12 | 2 | 7 | 7.2 | CCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL299598 | 101262 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 530 | 12 | 2 | 7 | 7.2 | CCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
44294529 | 192580 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 556 | 12 | 2 | 7 | 7.6 | CCc1sc(CCc2cc(OCC3(C)CC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL52325 | 192580 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 556 | 12 | 2 | 7 | 7.6 | CCc1sc(CCc2cc(OCC3(C)CC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
62706424 | 75244 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 348 | 3 | 1 | 3 | 4.1 | C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1ccc(O)cc1)N1CCN(c2ccccc2)CC1 | 10.1021/ml200265m | ||
CHEMBL2046861 | 75244 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 348 | 3 | 1 | 3 | 4.1 | C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1ccc(O)cc1)N1CCN(c2ccccc2)CC1 | 10.1021/ml200265m | ||
44288390 | 161285 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41457 | 161285 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
44377440 | 57150 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 551 | 10 | 2 | 6 | 4.4 | COc1cc2c(cc1OC)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL165556 | 57150 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 551 | 10 | 2 | 6 | 4.4 | COc1cc2c(cc1OC)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL116864 | 10423 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 567 | 9 | 3 | 8 | 4.6 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCN(C3CCCCC3)CC2)c1 | 10.1016/s0960-894x(01)00765-x | ||
62706426 | 75246 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 350 | 3 | 0 | 2 | 4.5 | C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 | 10.1021/ml200265m | ||
CHEMBL2046863 | 75246 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 350 | 3 | 0 | 2 | 4.5 | C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 | 10.1021/ml200265m | ||
44377461 | 55290 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 505 | 8 | 2 | 4 | 4.7 | Cc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL162094 | 55290 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 505 | 8 | 2 | 4 | 4.7 | Cc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL411200 | 211124 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | ||||
44287971 | 162890 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41981 | 162890 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
44439437 | 150221 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 574 | 6 | 0 | 5 | 6.5 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCN(C3CC3)C[C@@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL395640 | 150221 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 574 | 6 | 0 | 5 | 6.5 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCN(C3CC3)C[C@@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
44409237 | 140466 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 524 | 5 | 1 | 6 | 4.6 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CCNC[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL382355 | 140466 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 524 | 5 | 1 | 6 | 4.6 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CCNC[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
44439491 | 90791 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 562 | 8 | 2 | 5 | 6.4 | CN1CCCC1CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL240038 | 90791 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 562 | 8 | 2 | 5 | 6.4 | CN1CCCC1CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
44409161 | 165613 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 527 | 5 | 1 | 5 | 6.1 | O=C1c2c(n(CC3CCNCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL426314 | 165613 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 527 | 5 | 1 | 5 | 6.1 | O=C1c2c(n(CC3CCNCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCC(F)(F)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
45487446 | 195525 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 473 | 10 | 1 | 9 | 4.2 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(OCCF)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL568152 | 195525 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 473 | 10 | 1 | 9 | 4.2 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(OCCF)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
44288112 | 99745 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL288355 | 99745 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
62706421 | 75242 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.0 | C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1cccc(N)c1)N1CCN(c2ccccc2)CC1 | 10.1021/ml200265m | ||
CHEMBL2046858 | 75242 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.0 | C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1cccc(N)c1)N1CCN(c2ccccc2)CC1 | 10.1021/ml200265m | ||
44377689 | 57776 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL167318 | 57776 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
44439444 | 146395 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 557 | 5 | 1 | 6 | 6.0 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCn2ccnc2C1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL392583 | 146395 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 557 | 5 | 1 | 6 | 6.0 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCn2ccnc2C1 | 10.1016/j.bmcl.2006.11.034 | ||
44439486 | 90845 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 5 | 5.8 | CN(C)CCN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL240208 | 90845 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 5 | 5.8 | CN(C)CCN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL187555 | 66806 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 591 | 10 | 4 | 9 | 4.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3OC)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL188271 | 66957 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 561 | 9 | 4 | 8 | 4.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
44396821 | 127054 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 606 | 10 | 4 | 10 | 4.4 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL366340 | 127054 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 606 | 10 | 4 | 10 | 4.4 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
25181112 | 178377 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL446342 | 178377 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL470495 | 178377 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
1504 | 2767 | 7 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
1518 | 2767 | 7 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
1521 | 2767 | 7 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
24868177 | 2767 | 7 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
44288922 | 2767 | 7 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
77068007 | 2767 | 7 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
90479759 | 2767 | 7 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
CHEMBL438945 | 2767 | 7 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
1526 | 2273 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | ||||
CHEMBL438411 | 2273 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | ||||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
44294565 | 186546 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 606 | 14 | 2 | 7 | 8.4 | CCc1sc(CCc2cc(OCCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL49177 | 186546 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 606 | 14 | 2 | 7 | 8.4 | CCc1sc(CCc2cc(OCCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
45487511 | 197046 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3ccc(F)nc3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL582790 | 197046 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3ccc(F)nc3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
44409121 | 140674 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 5 | 1 | 5 | 6.1 | CC1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL382836 | 140674 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 5 | 1 | 5 | 6.1 | CC1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
62706260 | 75250 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 332 | 3 | 0 | 2 | 4.4 | C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1ccccc1)N1CCN(c2ccccc2)CC1 | 10.1021/ml200265m | ||
CHEMBL2046868 | 75250 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 332 | 3 | 0 | 2 | 4.4 | C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1ccccc1)N1CCN(c2ccccc2)CC1 | 10.1021/ml200265m | ||
44377854 | 119608 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 507 | 10 | 2 | 5 | 3.8 | COc1ccc2c(c1)CC(CNCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL351082 | 119608 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 507 | 10 | 2 | 5 | 3.8 | COc1ccc2c(c1)CC(CNCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
44287938 | 99944 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL290175 | 99944 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL432237 | 167470 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 565 | 8 | 3 | 9 | 4.7 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)N1c1cccc(N/C(=N/CCCN2CCC(C(C)(C)C)CC2)NC#N)c1 | 10.1016/s0960-894x(01)00765-x | ||
CHEMBL411637 | 211206 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
44294671 | 187499 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 10 | 2 | 7 | 6.4 | CCc1sc(CCc2cc(OC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL49795 | 187499 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 10 | 2 | 7 | 6.4 | CCc1sc(CCc2cc(OC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
155512045 | 169052 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1735 | 55 | 28 | 24 | -2.7 | COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC | 10.1021/acs.jmedchem.6b00310 | ||
CHEMBL4436741 | 169052 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1735 | 55 | 28 | 24 | -2.7 | COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC | 10.1021/acs.jmedchem.6b00310 | ||
44294463 | 175329 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 578 | 12 | 2 | 7 | 8.0 | CCc1sc(CCc2cc(OCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL45869 | 175329 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 578 | 12 | 2 | 7 | 8.0 | CCc1sc(CCc2cc(OCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
44409268 | 138955 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 524 | 5 | 1 | 6 | 4.6 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CCNC[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL379443 | 138955 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 524 | 5 | 1 | 6 | 4.6 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CCNC[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
44287982 | 165703 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL42686 | 165703 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 12 | 6 | 4 | 1.9 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL187902 | 66885 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 645 | 10 | 4 | 9 | 5.4 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3OC(F)(F)F)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL412698 | 211271 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
44409191 | 168658 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 423 | 3 | 0 | 5 | 4.2 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL440944 | 168658 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 423 | 3 | 0 | 5 | 4.2 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL430274 | 211868 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
CHEMBL268351 | 209004 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | ||||
44439489 | 166505 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 562 | 8 | 2 | 5 | 6.4 | CCN1CCCC1CNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL428915 | 166505 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 562 | 8 | 2 | 5 | 6.4 | CCN1CCCC1CNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
73353529 | 90592 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 378 | 5 | 0 | 5 | 3.6 | CCOc1cccc(C2(N3CCN(c4cnccn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL2397200 | 90592 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 378 | 5 | 0 | 5 | 3.6 | CCOc1cccc(C2(N3CCN(c4cnccn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL114040 | 9750 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 585 | 9 | 3 | 9 | 4.9 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)N1c1cccc(N/C(=N/CCCN2CCC(c3ccccc3)CC2)NC#N)c1 | 10.1016/s0960-894x(01)00765-x | ||
CHEMBL405527 | 210817 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
CHEMBL412378 | 211241 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
44439433 | 89862 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 5 | 0 | 5 | 5.9 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCN(C)C[C@@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL238517 | 89862 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 5 | 0 | 5 | 5.9 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCN(C)C[C@@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL187782 | 66859 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 669 | 10 | 4 | 10 | 5.1 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3OC(F)(F)F)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
44377722 | 56899 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL164971 | 56899 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
44439443 | 90648 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 5 | 2 | 5 | 6.1 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCc2[nH]cnc2C1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL239775 | 90648 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 5 | 2 | 5 | 6.1 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCc2[nH]cnc2C1 | 10.1016/j.bmcl.2006.11.034 | ||
44294503 | 186988 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 570 | 11 | 2 | 7 | 8.1 | CCc1sc(CCc2cc(OC3CCCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL49461 | 186988 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 570 | 11 | 2 | 7 | 8.1 | CCc1sc(CCc2cc(OC3CCCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
44377452 | 119654 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(CNC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL351508 | 119654 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(CNC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL187399 | 66772 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 586 | 9 | 4 | 9 | 4.4 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3C#N)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL187925 | 66891 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 631 | 10 | 4 | 10 | 4.9 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3SC)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL189412 | 67154 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 610 | 9 | 4 | 10 | 4.1 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3C#N)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
91928728 | 208980 | 12 | None | -7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | ||||
CHEMBL267633 | 208980 | 12 | None | -7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | ||||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
44294383 | 186188 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 592 | 13 | 2 | 7 | 8.0 | CCc1sc(CCc2cc(OCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL48897 | 186188 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 592 | 13 | 2 | 7 | 8.0 | CCc1sc(CCc2cc(OCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
62706262 | 75252 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 362 | 4 | 0 | 3 | 4.4 | COc1cccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 | 10.1021/ml200265m | ||
CHEMBL2046870 | 75252 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 362 | 4 | 0 | 3 | 4.4 | COc1cccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 | 10.1021/ml200265m | ||
CHEMBL187492 | 66794 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 629 | 9 | 4 | 8 | 5.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3C(F)(F)F)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
44294672 | 186268 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 516 | 11 | 2 | 7 | 6.8 | CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL48947 | 186268 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 516 | 11 | 2 | 7 | 6.8 | CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
44409177 | 165275 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 520 | 5 | 0 | 6 | 5.0 | CN1CCC(Cn2c3c(c4ccccc42)C(=O)C(N2CCN(C)CC2)C[C@H]3Oc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL424862 | 165275 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 520 | 5 | 0 | 6 | 5.0 | CN1CCC(Cn2c3c(c4ccccc42)C(=O)C(N2CCN(C)CC2)C[C@H]3Oc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
44409330 | 76407 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 520 | 7 | 1 | 6 | 5.2 | O=C1c2c(n(CCCN3CCCCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCNCC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL206799 | 76407 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 520 | 7 | 1 | 6 | 5.2 | O=C1c2c(n(CCCN3CCCCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCNCC1 | 10.1016/j.bmcl.2005.11.104 | ||
44409236 | 75218 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 519 | 7 | 0 | 5 | 6.7 | O=C1c2c(n(CCCN3CCCCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCCCC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL204583 | 75218 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 519 | 7 | 0 | 5 | 6.7 | O=C1c2c(n(CCCN3CCCCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCCCC1 | 10.1016/j.bmcl.2005.11.104 | ||
44294315 | 183794 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 558 | 14 | 2 | 7 | 8.0 | CCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL48456 | 183794 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 558 | 14 | 2 | 7 | 8.0 | CCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL266077 | 208930 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1016/S0960-894X(00)80696-4 | ||||
44377731 | 57141 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 507 | 8 | 2 | 5 | 4.1 | COc1ccc2c(c1)CC(NC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL165506 | 57141 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 507 | 8 | 2 | 5 | 4.1 | COc1ccc2c(c1)CC(NC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
155524657 | 170422 | 0 | None | -794 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00310 | ||
CHEMBL4456247 | 170422 | 0 | None | -794 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00310 | ||
44409367 | 139796 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 4.0 | O=C1c2c(n(CC3CCNCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCN(CCO)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL380654 | 139796 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 4.0 | O=C1c2c(n(CC3CCNCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCN(CCO)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
44409173 | 74677 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 520 | 5 | 1 | 6 | 4.1 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1=O | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL203430 | 74677 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 520 | 5 | 1 | 6 | 4.1 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1=O | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL414482 | 211385 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | ||||
CHEMBL189548 | 67175 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 615 | 10 | 3 | 10 | 4.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCCN2CCN(c3cccc(OC)c3)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
9931301 | 200204 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 5.3 | CC[C@H]1CC[C@@](c2cccc(OCOC)c2)(N2CCN(c3ccccc3)CC2)CC1 | 10.1021/jm980521l | ||
CHEMBL60737 | 200204 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 5.3 | CC[C@H]1CC[C@@](c2cccc(OCOC)c2)(N2CCN(c3ccccc3)CC2)CC1 | 10.1021/jm980521l | ||
CHEMBL410938 | 211104 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
CHEMBL187491 | 66793 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 575 | 9 | 4 | 8 | 4.8 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3C)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL187620 | 66821 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 615 | 10 | 4 | 10 | 4.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3OC)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
44396885 | 67015 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 630 | 10 | 4 | 11 | 4.1 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3[N+](=O)[O-])CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL188576 | 67015 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 630 | 10 | 4 | 11 | 4.1 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3[N+](=O)[O-])CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL361273 | 122654 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 599 | 9 | 4 | 9 | 4.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3C)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL324554 | 109938 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 590 | 10 | 3 | 8 | 5.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 | 10.1016/s0960-894x(01)00765-x | ||
127041327 | 136607 | 0 | None | 1445 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746851 | 136607 | 0 | None | 1445 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747820 | 136607 | 0 | None | 1445 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
45487432 | 195308 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 9 | 1 | 9 | 4.0 | COCc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)o3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL566663 | 195308 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 9 | 1 | 9 | 4.0 | COCc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)o3)n2)n1 | 10.1016/j.bmcl.2009.07.030 | ||
10053818 | 191942 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 572 | 11 | 2 | 8 | 7.0 | CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL52108 | 191942 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 572 | 11 | 2 | 8 | 7.0 | CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
71456264 | 79085 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 570 | 14 | 2 | 7 | 8.2 | CC/C=C\CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL2113710 | 79085 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 570 | 14 | 2 | 7 | 8.2 | CC/C=C\CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
101835328 | 696 | 35 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
16133800 | 696 | 35 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
16201612 | 696 | 35 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
616 | 696 | 35 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
91898967 | 696 | 35 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
CHEMBL437027 | 696 | 35 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
DB11724 | 696 | 35 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
72714999 | 90593 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 377 | 5 | 0 | 4 | 4.2 | CCOc1cccc(C2(N3CCN(c4ccccn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL2397201 | 90593 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 377 | 5 | 0 | 4 | 4.2 | CCOc1cccc(C2(N3CCN(c4ccccn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
73353531 | 90595 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 379 | 5 | 0 | 6 | 3.0 | CCOc1cccc(C2(N3CCN(c4ncncn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL2397293 | 90595 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 379 | 5 | 0 | 6 | 3.0 | CCOc1cccc(C2(N3CCN(c4ncncn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
44439438 | 168322 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 532 | 5 | 1 | 5 | 5.8 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2=C(F)CNCC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL438342 | 168322 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 532 | 5 | 1 | 5 | 5.8 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2=C(F)CNCC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL331578 | 112822 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 568 | 9 | 3 | 9 | 4.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)N1c1cccc(NC(=O)NCCCN2CCN(C3CCCCC3)CC2)c1 | 10.1016/s0960-894x(01)00765-x | ||
44409234 | 140379 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 538 | 5 | 0 | 6 | 4.9 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CCN(C)C[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL382204 | 140379 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 538 | 5 | 0 | 6 | 4.9 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@H]3CCN(C)C[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
73350550 | 90596 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 378 | 5 | 0 | 5 | 3.6 | CCOc1cccc(C2(N3CCN(c4cccnn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL2397294 | 90596 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 378 | 5 | 0 | 5 | 3.6 | CCOc1cccc(C2(N3CCN(c4cccnn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL415176 | 211429 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | ||||
CHEMBL262221 | 208788 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(c1ccccc1)c1ccccc1 | 10.1021/jm000052z | ||||
62706423 | 75243 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.7 | Cc1ccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)cc1 | 10.1021/ml200265m | ||
CHEMBL2046860 | 75243 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.7 | Cc1ccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)cc1 | 10.1021/ml200265m | ||
44439456 | 90134 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 548 | 6 | 1 | 5 | 6.0 | CN(C)C1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCNC[C@H]2F)C1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL238736 | 90134 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 548 | 6 | 1 | 5 | 6.0 | CN(C)C1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCNC[C@H]2F)C1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL2111764 | 207474 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
CHEMBL427594 | 211605 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
44409345 | 168475 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 5 | 1 | 6 | 4.6 | CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL439506 | 168475 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 5 | 1 | 6 | 4.6 | CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
155517347 | 169630 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1703 | 54 | 30 | 22 | -4.3 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C/C=C\C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00310 | ||
CHEMBL4445077 | 169630 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1703 | 54 | 30 | 22 | -4.3 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C/C=C\C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00310 | ||
CHEMBL362083 | 123152 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 607 | 10 | 4 | 9 | 5.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3SC)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL364380 | 124525 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 601 | 9 | 5 | 10 | 3.9 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3O)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
45487514 | 197269 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3ccnc(F)c3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL584908 | 197269 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3ccnc(F)c3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL113935 | 9732 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 584 | 9 | 3 | 8 | 5.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCCN2CCC(c3ccccc3)CC2)NC#N)c1 | 10.1016/s0960-894x(01)00765-x | ||
11757487 | 188783 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 558 | 13 | 2 | 7 | 8.0 | CCc1sc(CCc2cc(OC(CC)CC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL51284 | 188783 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 558 | 13 | 2 | 7 | 8.0 | CCc1sc(CCc2cc(OC(CC)CC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
21129772 | 168857 | 3 | None | -2 | 9 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL44246 | 168857 | 3 | None | -2 | 9 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
44439440 | 90646 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 544 | 7 | 0 | 5 | 6.5 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL239773 | 90646 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 544 | 7 | 0 | 5 | 6.5 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CCCN2CCCCC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
44439485 | 153862 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 5.5 | CN(C)CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL398782 | 153862 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 5.5 | CN(C)CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F | 10.1016/j.bmcl.2006.11.034 | ||
73348990 | 90598 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 378 | 5 | 0 | 5 | 3.6 | CCOc1cccc(C2(N3CCN(c4cncnc4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL2397296 | 90598 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 378 | 5 | 0 | 5 | 3.6 | CCOc1cccc(C2(N3CCN(c4cncnc4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
44439432 | 91102 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 5 | 1 | 5 | 5.6 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCNC[C@@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL240404 | 91102 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 5 | 1 | 5 | 5.6 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCNC[C@@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
44439434 | 146632 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 5 | 1 | 5 | 5.6 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCNC[C@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL392787 | 146632 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 5 | 1 | 5 | 5.6 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCNC[C@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
44288395 | 162022 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL41686 | 162022 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
72715000 | 90594 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 378 | 5 | 0 | 5 | 3.6 | CCOc1cccc(C2(N3CCN(c4ncccn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL2397291 | 90594 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 378 | 5 | 0 | 5 | 3.6 | CCOc1cccc(C2(N3CCN(c4ncccn4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
44294516 | 164450 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 558 | 11 | 2 | 7 | 7.8 | CCc1sc(CCc2cc(OCC(C)(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL422583 | 164450 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 558 | 11 | 2 | 7 | 7.8 | CCc1sc(CCc2cc(OCC(C)(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
62706425 | 75245 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 362 | 4 | 0 | 3 | 4.4 | COc1ccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)cc1 | 10.1021/ml200265m | ||
CHEMBL2046862 | 75245 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 362 | 4 | 0 | 3 | 4.4 | COc1ccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)cc1 | 10.1021/ml200265m | ||
CHEMBL116230 | 10281 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 591 | 10 | 3 | 9 | 5.1 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)N1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 | 10.1016/s0960-894x(01)00765-x | ||
CHEMBL360205 | 122085 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 9 | 5 | 9 | 4.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3O)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
44294564 | 188792 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 607 | 14 | 2 | 8 | 7.8 | CCc1sc(CCc2cc(OCCCc3cccnc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL51290 | 188792 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 607 | 14 | 2 | 8 | 7.8 | CCc1sc(CCc2cc(OCCCc3cccnc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
20556258 | 63434 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 419 | 4 | 1 | 7 | 2.9 | COc1cc2nc(N3CCC(N4Cc5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL18016 | 63434 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 419 | 4 | 1 | 7 | 2.9 | COc1cc2nc(N3CCC(N4Cc5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | ||
73353533 | 90599 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 4.8 | CCOc1cccc(C2(N3CCN(c4ccccc4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL2397299 | 90599 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 4.8 | CCOc1cccc(C2(N3CCN(c4ccccc4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
57384007 | 75249 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 4.8 | CCOc1cccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 | 10.1021/ml200265m | ||
CHEMBL2046867 | 75249 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 4.8 | CCOc1cccc([C@@]2(N3CCN(c4ccccc4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 | 10.1021/ml200265m | ||
44294543 | 188947 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 572 | 15 | 2 | 7 | 8.4 | CCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL51422 | 188947 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 572 | 15 | 2 | 7 | 8.4 | CCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
44409307 | 76387 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 533 | 7 | 0 | 5 | 7.0 | CC1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCCN3CCCCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL206671 | 76387 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 533 | 7 | 0 | 5 | 7.0 | CC1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CCCN3CCCCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
44288067 | 165808 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 513 | 9 | 5 | 4 | 3.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL42747 | 165808 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 513 | 9 | 5 | 4 | 3.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL425095 | 211582 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
45487512 | 195440 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccnc3F)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL567708 | 195440 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 429 | 7 | 1 | 8 | 4.0 | Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccnc3F)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
44294626 | 184039 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 586 | 16 | 2 | 7 | 8.8 | CCCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL48493 | 184039 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 586 | 16 | 2 | 7 | 8.8 | CCCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 | 10.1016/j.bmcl.2004.01.049 | ||
44409209 | 76188 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 6.3 | O=C1CC[C@@H](Oc2ccc(Cl)cc2)c2c1c1ccccc1n2CCCN1CCCCC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL206112 | 76188 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 6.3 | O=C1CC[C@@H](Oc2ccc(Cl)cc2)c2c1c1ccccc1n2CCCN1CCCCC1 | 10.1016/j.bmcl.2005.11.104 | ||
16146616 | 166167 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
44342628 | 166167 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
91931428 | 166167 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
CHEMBL428292 | 166167 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
CHEMBL2314835 | 207763 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCC(=O)NCC(=O)Nc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)cc1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2012.11.110 | ||||
CHEMBL428320 | 211688 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
CHEMBL438935 | 212066 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
CHEMBL413612 | 211329 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
16148366 | 168788 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CN[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
44342930 | 168788 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CN[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
91931417 | 168788 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CN[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
CHEMBL441936 | 168788 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CN[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | ||
44409363 | 76395 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 5 | 1 | 6 | 4.6 | CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL206723 | 76395 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 5 | 1 | 6 | 4.6 | CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
44439445 | 89866 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 535 | 5 | 2 | 5 | 5.8 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCC(O)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL238527 | 89866 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 535 | 5 | 2 | 5 | 5.8 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCC(O)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
10030299 | 188626 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
45487501 | 195279 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 477 | 7 | 1 | 9 | 3.4 | Cc1nc(SCc2cc(N3CCS(=O)(=O)CC3)cc(NCc3cccc(F)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL566441 | 195279 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 477 | 7 | 1 | 9 | 3.4 | Cc1nc(SCc2cc(N3CCS(=O)(=O)CC3)cc(NCc3cccc(F)n3)n2)oc1C | 10.1016/j.bmcl.2009.07.030 | ||
CHEMBL187490 | 66792 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 619 | 9 | 4 | 9 | 4.9 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3cccc(Cl)c3)CC2)NC#N)c1 | 10.1016/j.bmcl.2004.10.005 | ||
CHEMBL360188 | 122063 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 595 | 9 | 4 | 8 | 5.1 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3cccc(Cl)c3)CC2)c1 | 10.1016/j.bmcl.2004.10.005 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
44294458 | 162598 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 560 | 13 | 2 | 8 | 6.8 | CCc1sc(CCc2cc(OC(C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
CHEMBL417912 | 162598 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 560 | 13 | 2 | 8 | 6.8 | CCc1sc(CCc2cc(OC(C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C | 10.1016/j.bmcl.2004.01.049 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/np900287e | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/np900287e | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/np900287e | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/np900287e | ||
CHEMBL2314835 | 207763 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCC(=O)NCC(=O)Nc1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)cc1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2012.11.110 | ||||
44271463 | 60012 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 307 | 6 | 3 | 5 | 3.0 | NCCCCNc1nc(N)c2cc(-c3ccccc3)ccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17441 | 60012 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 307 | 6 | 3 | 5 | 3.0 | NCCCCNc1nc(N)c2cc(-c3ccccc3)ccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
44439441 | 154323 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 564 | 7 | 2 | 6 | 4.9 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCN(CCO)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL400631 | 154323 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 564 | 7 | 2 | 6 | 4.9 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCN(CCO)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
1562 | 886 | 8 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
5312114 | 886 | 8 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17645 | 886 | 8 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL195380 | 886 | 8 | None | - | 2 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
44377468 | 56206 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 525 | 8 | 2 | 4 | 5.0 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL163470 | 56206 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 525 | 8 | 2 | 4 | 5.0 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
44439446 | 90127 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 560 | 6 | 1 | 5 | 6.1 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F)N1CCN(C2CC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL238733 | 90127 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 560 | 6 | 1 | 5 | 6.1 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F)N1CCN(C2CC2)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL429698 | 211794 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | ||||
12822578 | 60035 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 481 | 5 | 1 | 8 | 3.5 | COc1cc2nc(N3CCC(N4C(=O)CC(C5CCCCC5)CC4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17456 | 60035 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 481 | 5 | 1 | 8 | 3.5 | COc1cc2nc(N3CCC(N4C(=O)CC(C5CCCCC5)CC4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | ||
73353532 | 90597 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 377 | 5 | 0 | 4 | 4.2 | CCOc1cccc(C2(N3CCN(c4cccnc4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL2397295 | 90597 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 377 | 5 | 0 | 4 | 4.2 | CCOc1cccc(C2(N3CCN(c4cccnc4)CC3)C3CC(C)CC32)c1 | 10.1016/j.bmcl.2013.04.095 | ||
CHEMBL2314836 | 207764 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1)C(=O)O | 10.1016/j.bmcl.2012.11.110 | ||||
44409340 | 75608 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 534 | 6 | 1 | 6 | 5.4 | CNC1CCC(Cn2c3c(c4ccccc42)C(=O)C(N2CCN(C)CC2)C[C@H]3Oc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL205261 | 75608 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 534 | 6 | 1 | 6 | 5.4 | CNC1CCC(Cn2c3c(c4ccccc42)C(=O)C(N2CCN(C)CC2)C[C@H]3Oc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL265766 | 96451 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 607 | 10 | 3 | 9 | 5.7 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)N1c1cccc(N/C(S)=N/CCCN2CCC(c3cccc(OC)c3)CC2)c1 | 10.1016/s0960-894x(01)00765-x | ||
44439435 | 90084 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 548 | 5 | 0 | 5 | 5.9 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCN(C)C[C@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL238728 | 90084 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 548 | 5 | 0 | 5 | 5.9 | CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3C[C@@H]2CCN(C)C[C@H]2F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
10007341 | 119560 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
CHEMBL350620 | 119560 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
10007341 | 119560 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL350620 | 119560 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
44409155 | 75062 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 505 | 5 | 1 | 5 | 6.1 | CC1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL204050 | 75062 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 505 | 5 | 1 | 5 | 6.1 | CC1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
44439442 | 90647 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 602 | 6 | 1 | 5 | 6.5 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCN(CC(F)(F)F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
CHEMBL239774 | 90647 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 602 | 6 | 1 | 5 | 6.5 | O=C(c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F)N1CCN(CC(F)(F)F)CC1 | 10.1016/j.bmcl.2006.11.034 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 10.6 | pKd | = | 10.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 10.4 | pKd | = | 10.4 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 10.3 | pKd | = | 10.3 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 10.3 | pKd | = | 10.3 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 10.3 | pKd | = | 10.3 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 10.3 | pKd | = | 10.3 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
25181112 | 178377 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL446342 | 178377 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL470495 | 178377 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
25181112 | 178377 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL446342 | 178377 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL470495 | 178377 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
25181112 | 178377 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL446342 | 178377 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL470495 | 178377 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
25181112 | 178377 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL446342 | 178377 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL470495 | 178377 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
44346892 | 161379 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 3395 | 75 | 48 | 47 | -15.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]1(C)NC(=O)CC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm00098a009 | ||
91928654 | 161379 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 3395 | 75 | 48 | 47 | -15.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]1(C)NC(=O)CC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm00098a009 | ||
CHEMBL415353 | 161379 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 3395 | 75 | 48 | 47 | -15.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]1(C)NC(=O)CC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm00098a009 | ||
CHEMBL3559527 | 209994 | 0 | None | -112 | 2 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | ||||
127042586 | 136477 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 643 | 17 | 7 | 5 | 3.0 | CCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746028 | 136477 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 643 | 17 | 7 | 5 | 3.0 | CCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
25181112 | 178377 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL446342 | 178377 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL470495 | 178377 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
52953220 | 62823 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 962 | 24 | 7 | 7 | 7.4 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774344 | 62823 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 962 | 24 | 7 | 7 | 7.4 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789732 | 62823 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 962 | 24 | 7 | 7 | 7.4 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL409167 | 211001 | 1 | None | -426 | 2 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | ||||
162647593 | 183056 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 619 | 15 | 7 | 5 | 1.8 | N/C(=N/C(=O)NCCNC(=O)CF)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4746035 | 183056 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 619 | 15 | 7 | 5 | 1.8 | N/C(=N/C(=O)NCCNC(=O)CF)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802520 | 183056 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 619 | 15 | 7 | 5 | 1.8 | N/C(=N/C(=O)NCCNC(=O)CF)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
9987422 | 119410 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 720 | 15 | 0 | 6 | 8.2 | Ic1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL349328 | 119410 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 720 | 15 | 0 | 6 | 8.2 | Ic1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
162673313 | 183189 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 635 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)CCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4794692 | 183189 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 635 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)CCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803933 | 183189 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 635 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)CCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162646865 | 183052 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 601 | 14 | 7 | 5 | 1.9 | CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4743976 | 183052 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 601 | 14 | 7 | 5 | 1.9 | CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802480 | 183052 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 601 | 14 | 7 | 5 | 1.9 | CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10030299 | 188626 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
162659769 | 183118 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CC(=O)NCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4762668 | 183118 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CC(=O)NCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803176 | 183118 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CC(=O)NCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162645700 | 183047 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 637 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)C(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4743858 | 183047 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 637 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)C(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802419 | 183047 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 637 | 15 | 7 | 5 | 2.1 | N/C(=N/C(=O)NCCNC(=O)C(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL2110365 | 207469 | 4 | None | 17 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||||
162652126 | 183073 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 655 | 14 | 7 | 5 | 2.4 | N/C(=N/C(=O)NCCNC(=O)C(F)(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4751322 | 183073 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 655 | 14 | 7 | 5 | 2.4 | N/C(=N/C(=O)NCCNC(=O)C(F)(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802763 | 183073 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 655 | 14 | 7 | 5 | 2.4 | N/C(=N/C(=O)NCCNC(=O)C(F)(F)F)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162652761 | 183079 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 629 | 16 | 7 | 5 | 2.6 | CCC(=O)NCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4752392 | 183079 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 629 | 16 | 7 | 5 | 2.6 | CCC(=O)NCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802798 | 183079 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 629 | 16 | 7 | 5 | 2.6 | CCC(=O)NCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
1504 | 2767 | 7 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
1518 | 2767 | 7 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
1521 | 2767 | 7 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
24868177 | 2767 | 7 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
44288922 | 2767 | 7 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
77068007 | 2767 | 7 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
90479759 | 2767 | 7 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
CHEMBL438945 | 2767 | 7 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
10030299 | 188626 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
44372750 | 48438 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 615 | 16 | 0 | 7 | 7.2 | c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CCCN3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL155802 | 48438 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 615 | 16 | 0 | 7 | 7.2 | c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CCCN3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
44372384 | 119244 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 622 | 16 | 0 | 7 | 7.6 | O=C(CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL347807 | 119244 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 622 | 16 | 0 | 7 | 7.6 | O=C(CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00082-7 | ||
162653845 | 183085 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 613 | 15 | 7 | 5 | 2.0 | C=CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4753520 | 183085 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 613 | 15 | 7 | 5 | 2.0 | C=CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802860 | 183085 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 613 | 15 | 7 | 5 | 2.0 | C=CC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
91928728 | 208980 | 12 | None | -7 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | ||||
CHEMBL267633 | 208980 | 12 | None | -7 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | ||||
56841989 | 211672 | 4 | None | 1 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 211672 | 4 | None | 1 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
162667448 | 183155 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 679 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)CBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4786911 | 183155 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 679 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)CBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803593 | 183155 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 679 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)CBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
56841989 | 211672 | 4 | None | 1 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 211672 | 4 | None | 1 | 7 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
44372383 | 168491 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 636 | 17 | 0 | 7 | 8.0 | O=C(CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL439643 | 168491 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 636 | 17 | 0 | 7 | 8.0 | O=C(CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00082-7 | ||
162675643 | 183202 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 617 | 15 | 8 | 6 | 0.8 | N/C(=N/C(=O)NCCNC(=O)CO)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4798118 | 183202 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 617 | 15 | 8 | 6 | 0.8 | N/C(=N/C(=O)NCCNC(=O)CO)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4804067 | 183202 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 617 | 15 | 8 | 6 | 0.8 | N/C(=N/C(=O)NCCNC(=O)CO)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
10030299 | 188626 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
44372422 | 119087 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 606 | 15 | 0 | 6 | 8.1 | C(=C\c1ccccc1)\CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL346243 | 119087 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 606 | 15 | 0 | 6 | 8.1 | C(=C\c1ccccc1)\CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
44372692 | 119008 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 594 | 15 | 0 | 6 | 7.6 | c1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL345581 | 119008 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 594 | 15 | 0 | 6 | 7.6 | c1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
1504 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
1518 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
1521 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
24868177 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
44288922 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
77068007 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
90479759 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
CHEMBL438945 | 2767 | 7 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
162653308 | 183083 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 616 | 15 | 8 | 6 | 0.8 | NCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4752935 | 183083 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 616 | 15 | 8 | 6 | 0.8 | NCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802829 | 183083 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 616 | 15 | 8 | 6 | 0.8 | NCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
10030299 | 188626 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL4284905 | 211702 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
1528 | 623 | 18 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 529 | 13 | 6 | 4 | 1.8 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N | 10.1016/j.bmc.2011.03.045 | ||
5311022 | 623 | 18 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 529 | 13 | 6 | 4 | 1.8 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774204 | 623 | 18 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 529 | 13 | 6 | 4 | 1.8 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL4284905 | 211702 | 0 | None | 1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
155523949 | 170291 | 0 | None | 676 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 2259 | 56 | 35 | 29 | -7.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4454036 | 170291 | 0 | None | 676 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 2259 | 56 | 35 | 29 | -7.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL411117 | 211118 | 0 | None | 123 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||||
155537755 | 171796 | 0 | None | 467 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 2309 | 56 | 36 | 30 | -7.8 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4476074 | 171796 | 0 | None | 467 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 2309 | 56 | 36 | 30 | -7.8 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
44372776 | 48741 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 600 | 15 | 0 | 6 | 8.3 | c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CCC3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL156076 | 48741 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 600 | 15 | 0 | 6 | 8.3 | c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CCC3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
44373119 | 119280 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 560 | 15 | 0 | 6 | 7.4 | CC(C)CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL348123 | 119280 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 560 | 15 | 0 | 6 | 7.4 | CC(C)CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
10030299 | 188626 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
127041306 | 136536 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746870 | 136536 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
162655600 | 183094 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 629 | 15 | 7 | 5 | 2.5 | CC(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4755692 | 183094 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 629 | 15 | 7 | 5 | 2.5 | CC(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802951 | 183094 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 629 | 15 | 7 | 5 | 2.5 | CC(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
127041619 | 136609 | 0 | None | 12302 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746386 | 136609 | 0 | None | 12302 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747715 | 136609 | 0 | None | 12302 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747822 | 136609 | 0 | None | 12302 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 615 | 15 | 7 | 5 | 2.2 | CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
44372508 | 119589 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 610 | 15 | 1 | 7 | 7.3 | Oc1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL350917 | 119589 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 610 | 15 | 1 | 7 | 7.3 | Oc1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
127041327 | 136607 | 0 | None | 1445 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746851 | 136607 | 0 | None | 1445 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747820 | 136607 | 0 | None | 1445 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
44372691 | 119086 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 16 | 0 | 6 | 8.0 | c1ccc(CCCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL346242 | 119086 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 608 | 16 | 0 | 6 | 8.0 | c1ccc(CCCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
155517812 | 169643 | 0 | None | 467 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 2266 | 54 | 33 | 29 | -6.0 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4445317 | 169643 | 0 | None | 467 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 2266 | 54 | 33 | 29 | -6.0 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
162672910 | 183188 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 649 | 16 | 7 | 5 | 2.5 | N/C(=N/C(=O)NCCNC(=O)CCCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4795468 | 183188 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 649 | 16 | 7 | 5 | 2.5 | N/C(=N/C(=O)NCCNC(=O)CCCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803913 | 183188 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 649 | 16 | 7 | 5 | 2.5 | N/C(=N/C(=O)NCCNC(=O)CCCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
44372858 | 119279 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 586 | 14 | 0 | 6 | 7.9 | c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CC3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL348119 | 119279 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 586 | 14 | 0 | 6 | 7.9 | c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CC3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL4279973 | 211653 | 0 | None | -2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4279973 | 211653 | 0 | None | -2 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
10030299 | 188626 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL511460 | 188626 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 2.7 | CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL4299523 | 211827 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@H](C)CC | 10.1021/acs.jmedchem.5b00925 | ||||
CHEMBL4299523 | 211827 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@H](C)CC | 10.1021/acs.jmedchem.5b00925 | ||||
10008757 | 188426 | 0 | None | 7585 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL508974 | 188426 | 0 | None | 7585 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 602 | 14 | 6 | 6 | 2.3 | CCOC(=O)CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
44283050 | 158935 | 0 | None | 144 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||
91931647 | 158935 | 0 | None | 144 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||
CHEMBL410166 | 158935 | 0 | None | 144 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||
127041306 | 136536 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746870 | 136536 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 616 | 15 | 6 | 6 | 2.7 | CCOC(=O)CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
1504 | 2767 | 7 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
1518 | 2767 | 7 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
1521 | 2767 | 7 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
24868177 | 2767 | 7 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
44288922 | 2767 | 7 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
77068007 | 2767 | 7 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
90479759 | 2767 | 7 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
CHEMBL438945 | 2767 | 7 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
91928728 | 208980 | 12 | None | -7 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm801018u | ||||
CHEMBL267633 | 208980 | 12 | None | -7 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm801018u | ||||
CHEMBL429531 | 211789 | 12 | None | -6 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm010031k | ||||
127041327 | 136607 | 0 | None | 1445 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746851 | 136607 | 0 | None | 1445 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747820 | 136607 | 0 | None | 1445 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 611 | 13 | 6 | 7 | 2.0 | Cn1cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 | 10.1021/acs.jmedchem.5b00925 | ||
155541756 | 172470 | 0 | None | 426 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 2266 | 54 | 33 | 29 | -6.0 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4519035 | 172470 | 0 | None | 426 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 2266 | 54 | 33 | 29 | -6.0 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4299523 | 211827 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@H](C)CC | 10.1021/acs.jmedchem.5b00925 | ||||
162669845 | 183166 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 693 | 16 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)CCBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4789673 | 183166 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 693 | 16 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)CCBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803729 | 183166 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 693 | 16 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)CCBr)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4299523 | 211827 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@H](C)CC | 10.1021/acs.jmedchem.5b00925 | ||||
44373122 | 167799 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 544 | 15 | 0 | 6 | 6.9 | C=CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL434467 | 167799 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 544 | 15 | 0 | 6 | 6.9 | C=CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
10326097 | 50525 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCCC2CCCNC2)c2ccccc12 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL157661 | 50525 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCCC2CCCNC2)c2ccccc12 | 10.1016/s0960-894x(99)00082-7 | ||
9916525 | 111878 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@@H]2CCCNC2)c2ccccc12 | 10.1021/jm970512x | ||
CHEMBL329536 | 111878 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@@H]2CCCNC2)c2ccccc12 | 10.1021/jm970512x | ||
9916525 | 111878 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@@H]2CCCNC2)c2ccccc12 | 10.1021/jm9706630 | ||
CHEMBL329536 | 111878 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@@H]2CCCNC2)c2ccccc12 | 10.1021/jm9706630 | ||
CHEMBL4286615 | 211716 | 0 | None | -79 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4286615 | 211716 | 0 | None | -79 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
44373166 | 52273 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 546 | 14 | 0 | 6 | 7.0 | CC(C)CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL159220 | 52273 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 546 | 14 | 0 | 6 | 7.0 | CC(C)CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
46934142 | 15972 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 643 | 18 | 6 | 7 | 4.3 | COC(=O)CCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223992 | 15972 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 643 | 18 | 6 | 7 | 4.3 | COC(=O)CCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
9869041 | 61315 | 7 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.5 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771259 | 61315 | 7 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.5 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
25181112 | 178377 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL446342 | 178377 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL470495 | 178377 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL2110365 | 207469 | 4 | None | 17 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||||
162659745 | 183117 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 641 | 15 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)C1CCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4762044 | 183117 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 641 | 15 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)C1CCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803174 | 183117 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 641 | 15 | 7 | 5 | 2.6 | N/C(=N/C(=O)NCCNC(=O)C1CCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162649085 | 183060 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 627 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)C1CC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4745338 | 183060 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 627 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)C1CC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802600 | 183060 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 627 | 15 | 7 | 5 | 2.2 | N/C(=N/C(=O)NCCNC(=O)C1CC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
25181112 | 178377 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL446342 | 178377 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL470495 | 178377 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 529 | 12 | 5 | 4 | 2.9 | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2008.09.033 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2008.09.033 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2008.09.033 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2011.03.045 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2011.03.045 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2011.03.045 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2010.07.028 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2010.07.028 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2010.07.028 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2013.08.065 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2013.08.065 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2013.08.065 | ||
10531484 | 112970 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@H]2CCCNC2)c2ccccc12 | 10.1021/jm970512x | ||
CHEMBL331937 | 112970 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 590 | 11 | 1 | 6 | 6.8 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@H]2CCCNC2)c2ccccc12 | 10.1021/jm970512x | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
44372820 | 51387 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 532 | 13 | 0 | 6 | 6.8 | CC(C)N1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL158392 | 51387 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 532 | 13 | 0 | 6 | 6.8 | CC(C)N1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
44372775 | 48589 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 12 | 0 | 6 | 6.0 | CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL155925 | 48589 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 12 | 0 | 6 | 6.0 | CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
44372777 | 119243 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 530 | 14 | 0 | 6 | 6.5 | C=CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL347804 | 119243 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 530 | 14 | 0 | 6 | 6.5 | C=CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
10414488 | 200992 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 524 | 12 | 1 | 6 | 6.3 | Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL61532 | 200992 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 524 | 12 | 1 | 6 | 6.3 | Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
10414488 | 200992 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 524 | 12 | 1 | 6 | 6.3 | Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL61532 | 200992 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 524 | 12 | 1 | 6 | 6.3 | Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
10555187 | 117468 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 576 | 10 | 1 | 6 | 6.4 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC2CCNCC2)c2ccccc12 | 10.1021/jm970512x | ||
CHEMBL340369 | 117468 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 576 | 10 | 1 | 6 | 6.4 | O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC2CCNCC2)c2ccccc12 | 10.1021/jm970512x | ||
45273656 | 194140 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 529 | 6 | 1 | 3 | 6.0 | Cc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL558133 | 194140 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 529 | 6 | 1 | 3 | 6.0 | Cc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL125807 | 17382 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 560 | 9 | 3 | 7 | 5.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
44409242 | 140835 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 5 | 0 | 6 | 4.9 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CCN(C)C[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
CHEMBL383763 | 140835 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 5 | 0 | 6 | 4.9 | CN1CCN(C2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3C[C@@H]3CCN(C)C[C@@H]3F)C2=O)CC1 | 10.1016/j.bmcl.2005.11.104 | ||
54582376 | 62826 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1657 | 47 | 12 | 12 | 10.8 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
91932453 | 62826 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1657 | 47 | 12 | 12 | 10.8 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774346 | 62826 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1657 | 47 | 12 | 12 | 10.8 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789739 | 62826 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1657 | 47 | 12 | 12 | 10.8 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
10577912 | 204650 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 521 | 6 | 4 | 3 | 5.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3cccc(F)c3F)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL87548 | 204650 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 521 | 6 | 4 | 3 | 5.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3cccc(F)c3F)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL4277697 | 211628 | 0 | None | -25 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
73351127 | 102090 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 899 | 27 | 12 | 9 | -0.8 | NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440904 | 102090 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 899 | 27 | 12 | 9 | -0.8 | NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040737 | 102090 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 899 | 27 | 12 | 9 | -0.8 | NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL4281120 | 211666 | 0 | None | -39 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4283257 | 211689 | 0 | None | -5011 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4290488 | 211748 | 0 | None | -19 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
162661557 | 183126 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 821 | 18 | 6 | 5 | 6.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4763629 | 183126 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 821 | 18 | 6 | 5 | 6.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803258 | 183126 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 821 | 18 | 6 | 5 | 6.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL338296 | 116384 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 605 | 11 | 3 | 9 | 4.8 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
46879455 | 5412 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 4.8 | Cc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1076207 | 5412 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 4.8 | Cc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
46879823 | 6202 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 478 | 6 | 2 | 6 | 7.3 | Clc1cccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1081713 | 6202 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 478 | 6 | 2 | 6 | 7.3 | Clc1cccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL124335 | 16569 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 591 | 10 | 4 | 9 | 4.5 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3O)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
21188508 | 118930 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 487 | 9 | 0 | 4 | 7.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL344952 | 118930 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 487 | 9 | 0 | 4 | 7.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
44362830 | 120768 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 516 | 9 | 0 | 5 | 6.0 | COCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL357914 | 120768 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 516 | 9 | 0 | 5 | 6.0 | COCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
44362352 | 118880 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 467 | 10 | 0 | 4 | 7.1 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCC(C)C)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL344530 | 118880 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 467 | 10 | 0 | 4 | 7.1 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCC(C)C)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
49865805 | 15973 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 861 | 21 | 6 | 15 | 2.0 | CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223993 | 15973 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 861 | 21 | 6 | 15 | 2.0 | CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL2440916 | 209216 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCC(=O)NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040674 | 209216 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCC(=O)NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
45270992 | 194771 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 5.7 | COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL563052 | 194771 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 5.7 | COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
44362822 | 34171 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 5 | 0 | 3 | 6.1 | Clc1ccc(OCc2sc3ccccc3c2CN2CCCCC2)cc1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL142796 | 34171 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 5 | 0 | 3 | 6.1 | Clc1ccc(OCc2sc3ccccc3c2CN2CCCCC2)cc1 | 10.1016/s0960-894x(99)00019-0 | ||
46879457 | 5830 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 5 | 2 | 6 | 4.6 | Fc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1079610 | 5830 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 5 | 2 | 6 | 4.6 | Fc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
15383697 | 101304 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 359 | 4 | 1 | 7 | 2.6 | COc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL299965 | 101304 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 359 | 4 | 1 | 7 | 2.6 | COc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL196546 | 71368 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 633 | 10 | 3 | 9 | 5.6 | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)(C)C)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
CHEMBL269267 | 209039 | 0 | None | -13 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
19426761 | 193077 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 3 | 1 | 6 | 2.9 | Cc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL53657 | 193077 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 3 | 1 | 6 | 2.9 | Cc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | ||
44563341 | 178679 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 515 | 11 | 5 | 4 | 2.6 | CC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL472901 | 178679 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 515 | 11 | 5 | 4 | 2.6 | CC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL124152 | 16446 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 591 | 10 | 3 | 9 | 4.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
CHEMBL4287140 | 211720 | 0 | None | -8 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
155565033 | 174969 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 2407 | 58 | 36 | 30 | -5.2 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4578617 | 174969 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 2407 | 58 | 36 | 30 | -5.2 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
44362411 | 33918 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 550 | 7 | 0 | 4 | 6.6 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL142584 | 33918 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 550 | 7 | 0 | 4 | 6.6 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
44362410 | 164705 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 5.7 | Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C)c1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL423012 | 164705 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 5.7 | Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C)c1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL2371910 | 208405 | 0 | None | -31 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
45270142 | 193654 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 530 | 7 | 1 | 6 | 5.8 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4nnc(C)o4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL551608 | 193654 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 530 | 7 | 1 | 6 | 5.8 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4nnc(C)o4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
73357158 | 102076 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 971 | 30 | 13 | 10 | -1.3 | NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440906 | 102076 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 971 | 30 | 13 | 10 | -1.3 | NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040672 | 102076 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 971 | 30 | 13 | 10 | -1.3 | NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
10720203 | 204665 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 500 | 5 | 3 | 4 | 5.7 | CC(C)(C)OC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL87667 | 204665 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 500 | 5 | 3 | 4 | 5.7 | CC(C)(C)OC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
44362998 | 120560 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 490 | 7 | 0 | 4 | 7.1 | CN(C)C1CCN(CCc2c(C(C)(C)Oc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL357010 | 120560 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 490 | 7 | 0 | 4 | 7.1 | CN(C)C1CCN(CCc2c(C(C)(C)Oc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
10815605 | 205079 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 397 | 8 | 1 | 4 | 5.4 | Clc1ccc(OCc2nc3ccccc3n2CCCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL90369 | 205079 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 397 | 8 | 1 | 4 | 5.4 | Clc1ccc(OCc2nc3ccccc3n2CCCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
46879822 | 6201 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 6 | 2 | 6 | 7.3 | Clc1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1081712 | 6201 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 478 | 6 | 2 | 6 | 7.3 | Clc1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
46879521 | 5990 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 388 | 5 | 2 | 6 | 5.1 | Clc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080617 | 5990 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 388 | 5 | 2 | 6 | 5.1 | Clc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
44362921 | 164358 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 458 | 6 | 0 | 3 | 6.9 | CN(C)C1CCN(CCc2c(/C=C/c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL422294 | 164358 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 458 | 6 | 0 | 3 | 6.9 | CN(C)C1CCN(CCc2c(/C=C/c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
44296729 | 101101 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 328 | 3 | 2 | 6 | 2.5 | Nc1ccc([S+]([O-])c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL298542 | 101101 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 328 | 3 | 2 | 6 | 2.5 | Nc1ccc([S+]([O-])c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 | 10.1016/0960-894X(96)00319-8 | ||
46879606 | 5883 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 6 | 2 | 7 | 4.9 | COc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1079917 | 5883 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 398 | 6 | 2 | 7 | 4.9 | COc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL4289021 | 211735 | 0 | None | -51 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4294418 | 211783 | 0 | None | -1000 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
44362626 | 36872 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 5.0 | CN(C)C1CCN(CCc2c(COc3ccccc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145248 | 36872 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 7 | 0 | 4 | 5.0 | CN(C)C1CCN(CCc2c(COc3ccccc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
10692519 | 16287 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 402 | 5 | 0 | 3 | 6.1 | Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc21 | 10.1021/jm970512x | ||
CHEMBL123410 | 16287 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 402 | 5 | 0 | 3 | 6.1 | Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc21 | 10.1021/jm970512x | ||
44362766 | 118723 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 6.5 | CN(C)C1CCN(CCc2c(/C=N/c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL343413 | 118723 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 459 | 6 | 0 | 4 | 6.5 | CN(C)C1CCN(CCc2c(/C=N/c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL592149 | 214030 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | ||||
11799055 | 205487 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.7 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL92685 | 205487 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.7 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
19426753 | 189188 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.1 | CCc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL51611 | 189188 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 357 | 4 | 1 | 6 | 3.1 | CCc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | ||
44324723 | 77910 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 794 | 14 | 2 | 8 | 10.7 | Cc1ccc2c(c1)nc(COc1ccc(Cl)cc1)n2CCCC1CCCNC1.Cc1ccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c2c1 | 10.1021/jm9706630 | ||
CHEMBL210900 | 77910 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 794 | 14 | 2 | 8 | 10.7 | Cc1ccc2c(c1)nc(COc1ccc(Cl)cc1)n2CCCC1CCCNC1.Cc1ccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c2c1 | 10.1021/jm9706630 | ||
21336507 | 189100 | 0 | None | -1288 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL51542 | 189100 | 0 | None | -1288 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | ||
44363000 | 36485 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 497 | 7 | 0 | 5 | 5.7 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C#N)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL144935 | 36485 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 497 | 7 | 0 | 5 | 5.7 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C#N)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL4287140 | 211720 | 0 | None | -8 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
54583330 | 62841 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 906 | 21 | 5 | 7 | 6.0 | Cc1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)c(C)[n+]1CCOCCOCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774214 | 62841 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 906 | 21 | 5 | 7 | 6.0 | Cc1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)c(C)[n+]1CCOCCOCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789823 | 62841 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 906 | 21 | 5 | 7 | 6.0 | Cc1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)c(C)[n+]1CCOCCOCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
11800628 | 111848 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 541 | 6 | 4 | 4 | 6.1 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4sccc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL329366 | 111848 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 541 | 6 | 4 | 4 | 6.1 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4sccc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
54585271 | 62792 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1098 | 29 | 6 | 8 | 9.1 | Cc1cc(/C=C\C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774342 | 62792 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1098 | 29 | 6 | 8 | 9.1 | Cc1cc(/C=C\C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789354 | 62792 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1098 | 29 | 6 | 8 | 9.1 | Cc1cc(/C=C\C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
54583332 | 62816 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1070 | 27 | 6 | 8 | 8.3 | Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774220 | 62816 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1070 | 27 | 6 | 8 | 8.3 | Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789557 | 62816 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1070 | 27 | 6 | 8 | 8.3 | Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
49865812 | 15980 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 699 | 21 | 8 | 7 | 3.1 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(N)=O | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1224000 | 15980 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 699 | 21 | 8 | 7 | 3.1 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(N)=O | 10.1016/j.bmc.2010.07.028 | ||
72205486 | 102077 | 0 | None | 29 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 689 | 20 | 9 | 7 | 1.2 | N=C(N)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440937 | 102077 | 0 | None | 29 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 689 | 20 | 9 | 7 | 1.2 | N=C(N)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040689 | 102077 | 0 | None | 29 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 689 | 20 | 9 | 7 | 1.2 | N=C(N)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2370633 | 208155 | 0 | None | -426 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||||
CHEMBL4289021 | 211735 | 0 | None | -51 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4294418 | 211783 | 0 | None | -1000 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
44362637 | 37110 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 522 | 9 | 0 | 5 | 6.1 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CC(=O)N2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL145438 | 37110 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 522 | 9 | 0 | 5 | 6.1 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CC(=O)N2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL3349038 | 209660 | 0 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
72205671 | 102078 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 657 | 19 | 9 | 6 | 1.5 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CN)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440919 | 102078 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 657 | 19 | 9 | 6 | 1.5 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CN)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040694 | 102078 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 657 | 19 | 9 | 6 | 1.5 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CN)cc1 | 10.1016/j.bmc.2013.08.065 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/s0960-894x(01)00761-2 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/s0960-894x(01)00761-2 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/s0960-894x(01)00761-2 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/s0960-894x(01)00761-2 | ||
44362574 | 33751 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 6.4 | CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL142427 | 33751 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 6.4 | CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL2371909 | 208404 | 0 | None | -33 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
CHEMBL2371910 | 208405 | 0 | None | -31 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
54587223 | 62831 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 875 | 18 | 6 | 5 | 7.0 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774215 | 62831 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 875 | 18 | 6 | 5 | 7.0 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789787 | 62831 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 875 | 18 | 6 | 5 | 7.0 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
10529375 | 204809 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 5 | 4 | 3 | 5.3 | CC(C)(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL88576 | 204809 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 5 | 4 | 3 | 5.3 | CC(C)(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
11800499 | 204857 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 6 | 4 | 4 | 5.4 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3cnc4ccccc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL88871 | 204857 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 6 | 4 | 4 | 5.4 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3cnc4ccccc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
155561620 | 175077 | 0 | None | -117 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL4581256 | 175077 | 0 | None | -117 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
10696695 | 106252 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 7 | 4 | 3 | 5.1 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(CNC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314425 | 106252 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 7 | 4 | 3 | 5.1 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(CNC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
54583519 | 61319 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 491 | 7 | 2 | 7 | 5.3 | COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771263 | 61319 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 491 | 7 | 2 | 7 | 5.3 | COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL2110196 | 207468 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | ||||
21336503 | 190475 | 0 | None | -549 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL51874 | 190475 | 0 | None | -549 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | ||
10458754 | 36635 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 502 | 8 | 1 | 5 | 5.3 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3CO)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145056 | 36635 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 502 | 8 | 1 | 5 | 5.3 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3CO)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
45269317 | 194607 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 7 | 1 | 4 | 5.2 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N(C)C)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL562000 | 194607 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 7 | 1 | 4 | 5.2 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N(C)C)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
70686176 | 75248 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 486 | 13 | 5 | 4 | 3.9 | N=C(N)NCCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)CCc1ccc(O)cc1 | 10.1021/ml200265m | ||
CHEMBL2046865 | 75248 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 486 | 13 | 5 | 4 | 3.9 | N=C(N)NCCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)CCc1ccc(O)cc1 | 10.1021/ml200265m | ||
10625155 | 112078 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 498 | 6 | 4 | 3 | 4.8 | C/N=C(/Nc1ccccc1)NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O | 10.1021/jm990044m | ||
CHEMBL330095 | 112078 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 498 | 6 | 4 | 3 | 4.8 | C/N=C(/Nc1ccccc1)NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O | 10.1021/jm990044m | ||
45270153 | 193804 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 559 | 7 | 1 | 4 | 6.1 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL552762 | 193804 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 559 | 7 | 1 | 4 | 6.1 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
54582348 | 62830 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 849 | 20 | 6 | 5 | 6.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774218 | 62830 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 849 | 20 | 6 | 5 | 6.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789785 | 62830 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 849 | 20 | 6 | 5 | 6.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
10624998 | 205118 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 6 | 4 | 6 | 3.7 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3nncs3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL90560 | 205118 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 493 | 6 | 4 | 6 | 3.7 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3nncs3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
49865799 | 15967 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 830 | 29 | 6 | 5 | 10.2 | CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223986 | 15967 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 830 | 29 | 6 | 5 | 10.2 | CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
10842778 | 111137 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL328460 | 111137 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
46879650 | 6209 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 6 | 2 | 6 | 5.2 | CC[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1081733 | 6209 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 382 | 6 | 2 | 6 | 5.2 | CC[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL4294277 | 211782 | 0 | None | -63 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4283846 | 211695 | 0 | None | -39 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
10605125 | 205602 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.4 | Clc1ccc(OCc2nc3c(OCCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL93535 | 205602 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.4 | Clc1ccc(OCc2nc3c(OCCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
91928728 | 208980 | 12 | None | -7 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.0c00027 | ||||
CHEMBL267633 | 208980 | 12 | None | -7 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.0c00027 | ||||
44362801 | 35717 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 472 | 7 | 0 | 4 | 5.8 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL144262 | 35717 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 472 | 7 | 0 | 4 | 5.8 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL4294277 | 211782 | 0 | None | -63 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
45267593 | 195025 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 515 | 6 | 1 | 3 | 5.7 | C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccccc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL564810 | 195025 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 515 | 6 | 1 | 3 | 5.7 | C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccccc1 | 10.1016/j.bmcl.2009.06.050 | ||
10505296 | 204791 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 492 | 6 | 4 | 5 | 4.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3nccs3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL88450 | 204791 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 492 | 6 | 4 | 5 | 4.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3nccs3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL266730 | 208951 | 0 | None | -51 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
CHEMBL4283846 | 211695 | 0 | None | -39 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
155547323 | 173054 | 0 | None | -144 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL4533775 | 173054 | 0 | None | -144 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
9982218 | 101294 | 4 | None | -2041 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL1435188 | 101294 | 4 | None | -2041 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL299879 | 101294 | 4 | None | -2041 | 6 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
21188477 | 37894 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 11 | 1 | 5 | 5.9 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(=O)O)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL146116 | 37894 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 483 | 11 | 1 | 5 | 5.9 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(=O)O)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
46879456 | 5829 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 2 | 7 | 4.5 | COc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1079609 | 5829 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 384 | 6 | 2 | 7 | 4.5 | COc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
10625949 | 106066 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 6 | 4 | 5 | 5.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ocnc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314123 | 106066 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 6 | 4 | 5 | 5.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ocnc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10649777 | 204469 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 525 | 6 | 4 | 3 | 5.4 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)CCC4)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL86433 | 204469 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 525 | 6 | 4 | 3 | 5.4 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)CCC4)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10509290 | 205150 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL90717 | 205150 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1 | 10.1021/jm9706630 | ||
44362838 | 37185 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 6.4 | CN(C)C1CCN(CCc2c(CNc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145501 | 37185 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 461 | 7 | 1 | 4 | 6.4 | CN(C)C1CCN(CCc2c(CNc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
44362997 | 121468 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 6.9 | CC(Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL359207 | 121468 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 6.9 | CC(Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
21336489 | 79086 | 0 | None | -1737 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 3.7 | Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL2113711 | 79086 | 0 | None | -1737 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 3.7 | Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
44362506 | 36657 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 515 | 8 | 1 | 5 | 4.9 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(N)=O)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145078 | 36657 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 515 | 8 | 1 | 5 | 4.9 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(N)=O)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
46879693 | 5885 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 6.2 | c1ccc([C@@H]2CSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1079927 | 5885 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 430 | 6 | 2 | 6 | 6.2 | c1ccc([C@@H]2CSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
15383696 | 193133 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 3 | 1 | 6 | 3.2 | Nc1cc(S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL53876 | 193133 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 363 | 3 | 1 | 6 | 3.2 | Nc1cc(S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
45269306 | 194515 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 6.1 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCCC4=O)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL561392 | 194515 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 6.1 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCCC4=O)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
10626335 | 112065 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 543 | 6 | 4 | 5 | 4.7 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)OCCO4)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL329997 | 112065 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 543 | 6 | 4 | 5 | 4.7 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)OCCO4)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10577995 | 167538 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 524 | 6 | 5 | 3 | 5.4 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4[nH]ccc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL432766 | 167538 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 524 | 6 | 5 | 3 | 5.4 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4[nH]ccc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10795082 | 205581 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 5.8 | Clc1ccc(OCc2nc3c(OCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL93375 | 205581 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 5.8 | Clc1ccc(OCc2nc3c(OCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
44351121 | 158444 | 0 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 3255 | 91 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
91929374 | 158444 | 0 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 3255 | 91 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
CHEMBL409634 | 158444 | 0 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 3255 | 91 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
2317 | 67307 | 9 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL19060 | 67307 | 9 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL340824 | 117648 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 636 | 10 | 3 | 7 | 7.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(-c4ccccc4)c3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
54587217 | 61638 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 586 | 16 | 6 | 5 | 3.1 | NCCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774205 | 61638 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 586 | 16 | 6 | 5 | 3.1 | NCCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
44362862 | 118719 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 502 | 8 | 1 | 5 | 5.3 | CN(C)C1CCN(CCc2c(COc3ccc(CO)cc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL343399 | 118719 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 502 | 8 | 1 | 5 | 5.3 | CN(C)C1CCN(CCc2c(COc3ccc(CO)cc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
44362821 | 34520 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 385 | 6 | 0 | 3 | 6.2 | Clc1ccc(OCc2sc3ccccc3c2CCN2CCCCC2)cc1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL143068 | 34520 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 385 | 6 | 0 | 3 | 6.2 | Clc1ccc(OCc2sc3ccccc3c2CCN2CCCCC2)cc1 | 10.1016/s0960-894x(99)00019-0 | ||
46879779 | 5941 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 6.9 | c1ccc(CCC2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080301 | 5941 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 472 | 8 | 2 | 6 | 6.9 | c1ccc(CCC2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL4283705 | 211693 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4282216 | 211682 | 0 | None | -316 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
91928728 | 208980 | 12 | None | -7 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL267633 | 208980 | 12 | None | -7 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
10414488 | 200992 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 524 | 12 | 1 | 6 | 6.3 | Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL61532 | 200992 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 524 | 12 | 1 | 6 | 6.3 | Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1016/s0960-894x(98)00048-1 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm801018u | ||
1505 | 2837 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
CHEMBL441396 | 2837 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
44283143 | 161149 | 0 | None | 28 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | ||
91931648 | 161149 | 0 | None | 28 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | ||
CHEMBL413455 | 161149 | 0 | None | 28 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | ||
155563387 | 174745 | 0 | None | 269 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 2259 | 56 | 35 | 29 | -7.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4573545 | 174745 | 0 | None | 269 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 2259 | 56 | 35 | 29 | -7.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL126618 | 17880 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 576 | 9 | 4 | 8 | 5.2 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(O)c3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
CHEMBL437863 | 211989 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
10767712 | 111110 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 500 | 6 | 5 | 4 | 4.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(/N=C(\N)Nc3ccc(O)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL328288 | 111110 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 500 | 6 | 5 | 4 | 4.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(/N=C(\N)Nc3ccc(O)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL4283705 | 211693 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
72205482 | 102074 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 671 | 19 | 8 | 5 | 2.7 | NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440935 | 102074 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 671 | 19 | 8 | 5 | 2.7 | NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040670 | 102074 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 671 | 19 | 8 | 5 | 2.7 | NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440898 | 209218 | 0 | None | 10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CNC(=O)CCC(=O)NCCN(CCN)CCNC(=O)CCC(=O)NCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040691 | 209218 | 0 | None | 10 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CNC(=O)CCC(=O)NCCN(CCN)CCNC(=O)CCC(=O)NCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
10625207 | 204845 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 500 | 6 | 5 | 4 | 4.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(N)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL88805 | 204845 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 500 | 6 | 5 | 4 | 4.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(N)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL4282216 | 211682 | 0 | None | -316 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
21188661 | 37057 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 550 | 11 | 0 | 5 | 6.9 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(=O)N2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL145396 | 37057 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 550 | 11 | 0 | 5 | 6.9 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(=O)N2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
9908496 | 61312 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 391 | 6 | 2 | 5 | 4.9 | Cc1cc(C)c(-c2c(C)nn3c(NCCNC4CCCC4)cc(C)nc23)c(C)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771256 | 61312 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 391 | 6 | 2 | 5 | 4.9 | Cc1cc(C)c(-c2c(C)nn3c(NCCNC4CCCC4)cc(C)nc23)c(C)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL439904 | 212106 | 12 | None | -52 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL428017 | 211654 | 13 | None | -41 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2013.11.061 | ||||
CHEMBL428017 | 211654 | 13 | None | -41 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | ||||
45268477 | 194691 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 5.7 | COc1cccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)c1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL562532 | 194691 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 5.7 | COc1cccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)c1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL2440911 | 209225 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040758 | 209225 | 0 | None | 1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL411979 | 211220 | 0 | None | -83 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | ||||
11799136 | 106072 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 4.9 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Oc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314169 | 106072 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 4.9 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Oc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
162651028 | 183069 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 683 | 16 | 7 | 5 | 3.8 | N/C(=N/C(=O)NCCNC(=O)CC1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4750988 | 183069 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 683 | 16 | 7 | 5 | 3.8 | N/C(=N/C(=O)NCCNC(=O)CC1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802711 | 183069 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 683 | 16 | 7 | 5 | 3.8 | N/C(=N/C(=O)NCCNC(=O)CC1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
44362526 | 118905 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 455 | 9 | 1 | 5 | 5.2 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CC(=O)O)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL344722 | 118905 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 455 | 9 | 1 | 5 | 5.2 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CC(=O)O)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
54587431 | 61321 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 425 | 8 | 2 | 6 | 4.3 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNCCF)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771265 | 61321 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 425 | 8 | 2 | 6 | 4.3 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNCCF)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
44517723 | 193213 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 581 | 8 | 1 | 4 | 6.0 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL540466 | 193213 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 581 | 8 | 1 | 4 | 6.0 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
52953218 | 62824 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 918 | 20 | 6 | 6 | 6.3 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774211 | 62824 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 918 | 20 | 6 | 6 | 6.3 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789734 | 62824 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 918 | 20 | 6 | 6 | 6.3 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
52953218 | 62824 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 918 | 20 | 6 | 6 | 6.3 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774211 | 62824 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 918 | 20 | 6 | 6 | 6.3 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789734 | 62824 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 918 | 20 | 6 | 6 | 6.3 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
127041328 | 136608 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 559 | 13 | 7 | 5 | 1.7 | NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746864 | 136608 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 559 | 13 | 7 | 5 | 1.7 | NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747821 | 136608 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 559 | 13 | 7 | 5 | 1.7 | NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
44351146 | 168646 | 0 | None | -3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
91929377 | 168646 | 0 | None | -3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
CHEMBL440824 | 168646 | 0 | None | -3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
CHEMBL408891 | 210991 | 0 | None | -41 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
CHEMBL2370624 | 208147 | 0 | None | -95 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||||
46879560 | 6277 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 4.9 | c1ccc2sc(NCCc3ccc(NC4=NCCCS4)cc3)nc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1082083 | 6277 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 4.9 | c1ccc2sc(NCCc3ccc(NC4=NCCCS4)cc3)nc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
54587219 | 62825 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 931 | 21 | 6 | 5 | 7.0 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774210 | 62825 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 931 | 21 | 6 | 5 | 7.0 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789738 | 62825 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 931 | 21 | 6 | 5 | 7.0 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL2440899 | 209224 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040747 | 209224 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL2440911 | 209225 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040758 | 209225 | 0 | None | 1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL2370634 | 208156 | 0 | None | -208 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||||
44363007 | 36871 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 6.0 | CN(C)C1CCN(CCc2c(C(=O)Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145243 | 36871 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 6.0 | CN(C)C1CCN(CCc2c(C(=O)Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
22617869 | 61310 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 3.3 | Cc1cc(C)c(-c2c(C)nn3c(NCCN)cc(C)nc23)c(C)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771254 | 61310 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 323 | 4 | 2 | 5 | 3.3 | Cc1cc(C)c(-c2c(C)nn3c(NCCN)cc(C)nc23)c(C)c1 | 10.1016/j.bmcl.2010.12.116 | ||
10619067 | 164027 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.4 | Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc21 | 10.1021/jm9706630 | ||
CHEMBL421549 | 164027 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.4 | Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc21 | 10.1021/jm9706630 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm970512x | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm970512x | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm970512x | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1021/jm970512x | ||
10619067 | 164027 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.4 | Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc21 | 10.1021/jm970512x | ||
CHEMBL421549 | 164027 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 5.4 | Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc21 | 10.1021/jm970512x | ||
19426744 | 193058 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 407 | 3 | 1 | 6 | 3.3 | Nc1cc(S(=O)(=O)c2ccccc2Br)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL53497 | 193058 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 407 | 3 | 1 | 6 | 3.3 | Nc1cc(S(=O)(=O)c2ccccc2Br)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
21336493 | 188618 | 0 | None | -1698 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL51138 | 188618 | 0 | None | -1698 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
45271821 | 59162 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 555 | 8 | 1 | 5 | 6.6 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccc(OC)nc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL171377 | 59162 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 555 | 8 | 1 | 5 | 6.6 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccc(OC)nc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
54584290 | 62787 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 880 | 23 | 5 | 7 | 6.0 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCOCCOCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774217 | 62787 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 880 | 23 | 5 | 7 | 6.0 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCOCCOCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789346 | 62787 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 880 | 23 | 5 | 7 | 6.0 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCOCCOCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL2440914 | 209223 | 0 | None | 8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040731 | 209223 | 0 | None | 8 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
10674056 | 204274 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 542 | 6 | 4 | 5 | 5.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4scnc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL84793 | 204274 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 542 | 6 | 4 | 5 | 5.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4scnc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL263848 | 208847 | 0 | None | -16 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||||
10600984 | 105540 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 6 | 4 | 4 | 4.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccn3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL313292 | 105540 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 6 | 4 | 4 | 4.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccn3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
44362444 | 36921 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 436 | 7 | 0 | 4 | 6.0 | Cc1cc(C)c(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C)c1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145289 | 36921 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 436 | 7 | 0 | 4 | 6.0 | Cc1cc(C)c(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C)c1 | 10.1016/s0960-894x(99)00019-0 | ||
44362459 | 118264 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 529 | 9 | 0 | 5 | 5.9 | CN(C)Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL341908 | 118264 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 529 | 9 | 0 | 5 | 5.9 | CN(C)Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
46880224 | 6155 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 5 | 2 | 6 | 4.5 | c1ccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1081469 | 6155 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 5 | 2 | 6 | 4.5 | c1ccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL2440927 | 209226 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040781 | 209226 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
10816575 | 204555 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 554 | 6 | 5 | 5 | 3.8 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL86952 | 204555 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 554 | 6 | 5 | 5 | 3.8 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
155533017 | 171244 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 2435 | 58 | 36 | 30 | -4.4 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4468261 | 171244 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 2435 | 58 | 36 | 30 | -4.4 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL438914 | 212059 | 14 | None | 54 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](C)CC | 10.1021/jm010031k | ||||
CHEMBL4290445 | 211747 | 0 | None | -3981 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4290615 | 211749 | 0 | None | -12 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4290445 | 211747 | 0 | None | -3981 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4290615 | 211749 | 0 | None | -12 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
46879737 | 5935 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 384 | 6 | 2 | 7 | 4.4 | COC1CN=C(Nc2ccc(CCNc3nc4ccccc4s3)cc2)S1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080289 | 5935 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 384 | 6 | 2 | 7 | 4.4 | COC1CN=C(Nc2ccc(CCNc3nc4ccccc4s3)cc2)S1 | 10.1016/j.bmcl.2009.09.048 | ||
10672357 | 16582 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 5.5 | Cn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(N3CCCCC3)CC2)c2ccccc21 | 10.1021/jm970512x | ||
CHEMBL124343 | 16582 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 479 | 7 | 0 | 5 | 5.5 | Cn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(N3CCCCC3)CC2)c2ccccc21 | 10.1021/jm970512x | ||
52953220 | 62823 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 962 | 24 | 7 | 7 | 7.4 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774344 | 62823 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 962 | 24 | 7 | 7 | 7.4 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789732 | 62823 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 962 | 24 | 7 | 7 | 7.4 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
52953220 | 62823 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 962 | 24 | 7 | 7 | 7.4 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774344 | 62823 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 962 | 24 | 7 | 7 | 7.4 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789732 | 62823 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 962 | 24 | 7 | 7 | 7.4 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
10554097 | 106520 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 525 | 6 | 5 | 4 | 4.8 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4[nH]ncc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL315299 | 106520 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 525 | 6 | 5 | 4 | 4.8 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4[nH]ncc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL3349341 | 209662 | 0 | None | -72 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
44362542 | 120511 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 536 | 10 | 0 | 5 | 6.5 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(C(=O)CCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL356585 | 120511 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 536 | 10 | 0 | 5 | 6.5 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(C(=O)CCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
49865807 | 15974 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 714 | 21 | 7 | 8 | 3.8 | COC(=O)CCNC(=O)CCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223995 | 15974 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 714 | 21 | 7 | 8 | 3.8 | COC(=O)CCNC(=O)CCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL2440899 | 209224 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040747 | 209224 | 0 | None | -2 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
44362811 | 164507 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 7 | 0 | 3 | 6.6 | Clc1ccc(OCc2sc3ccccc3c2CCCN2CCCCC2)cc1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL422655 | 164507 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 399 | 7 | 0 | 3 | 6.6 | Clc1ccc(OCc2sc3ccccc3c2CCCN2CCCCC2)cc1 | 10.1016/s0960-894x(99)00019-0 | ||
44350924 | 168422 | 0 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
91929378 | 168422 | 0 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
CHEMBL439122 | 168422 | 0 | None | -58 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
45271004 | 193691 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 549 | 6 | 1 | 3 | 6.4 | C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL551876 | 193691 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 549 | 6 | 1 | 3 | 6.4 | C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
44563342 | 189056 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 515 | 13 | 5 | 4 | 3.4 | CCC/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL515095 | 189056 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 515 | 13 | 5 | 4 | 3.4 | CCC/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
10676562 | 111147 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL328532 | 111147 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1 | 10.1021/jm9706630 | ||
49865801 | 15969 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 743 | 15 | 6 | 5 | 7.7 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223988 | 15969 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 743 | 15 | 6 | 5 | 7.7 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL592104 | 214028 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1016/j.bmcl.2009.12.068 | ||||
44362774 | 164359 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 422 | 8 | 0 | 5 | 4.9 | CN(C)C1CCN(CCc2c(COc3ccccc3C=O)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL422297 | 164359 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 422 | 8 | 0 | 5 | 4.9 | CN(C)C1CCN(CCc2c(COc3ccccc3C=O)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
10673757 | 106402 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 529 | 6 | 4 | 5 | 4.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)OCO4)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314529 | 106402 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 529 | 6 | 4 | 5 | 4.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)OCO4)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
44362627 | 38497 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 8 | 0 | 4 | 6.4 | CN(C)C1CCN(CCc2c(CCOc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL146606 | 38497 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 476 | 8 | 0 | 4 | 6.4 | CN(C)C1CCN(CCc2c(CCOc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL2440194 | 208738 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm4008505 | ||||
10472655 | 192973 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 344 | 3 | 2 | 7 | 2.1 | Nc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL53016 | 192973 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 344 | 3 | 2 | 7 | 2.1 | Nc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 | 10.1016/0960-894X(96)00319-8 | ||
44362868 | 33100 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 464 | 7 | 0 | 4 | 6.7 | Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C(C)(C)C)c1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL141879 | 33100 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 464 | 7 | 0 | 4 | 6.7 | Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(C(C)(C)C)c1 | 10.1016/s0960-894x(99)00019-0 | ||
44362387 | 37466 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 9 | 0 | 4 | 6.5 | CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL145761 | 37466 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 9 | 0 | 4 | 6.5 | CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
21188602 | 164195 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 501 | 10 | 0 | 4 | 7.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCc2ccccc2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL421770 | 164195 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 501 | 10 | 0 | 4 | 7.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCc2ccccc2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
21188717 | 164763 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 511 | 12 | 0 | 6 | 6.4 | CCOC(=O)CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL423383 | 164763 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 511 | 12 | 0 | 6 | 6.4 | CCOC(=O)CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL2440183 | 208729 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@H]1C(=O)OC)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm4008505 | ||||
9868731 | 61311 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 9 | 2 | 6 | 5.2 | COc1ccc(CCNCCNc2cc(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn23)cc1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771255 | 61311 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 9 | 2 | 6 | 5.2 | COc1ccc(CCNCCNc2cc(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn23)cc1 | 10.1016/j.bmcl.2010.12.116 | ||
45272692 | 194224 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 7 | 1 | 4 | 6.5 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4cccnc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL559045 | 194224 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 7 | 1 | 4 | 6.5 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4cccnc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
54582343 | 62827 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 875 | 19 | 5 | 5 | 7.6 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774203 | 62827 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 875 | 19 | 5 | 5 | 7.6 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789769 | 62827 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 875 | 19 | 5 | 5 | 7.6 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL2440928 | 209215 | 0 | None | 7 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040658 | 209215 | 0 | None | 7 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
10744091 | 205107 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 6 | 4 | 3 | 5.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(F)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL90497 | 205107 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 6 | 4 | 3 | 5.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(F)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10700181 | 205485 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 6.0 | Clc1ccc(OCc2nc3c(OCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL92679 | 205485 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 6.0 | Clc1ccc(OCc2nc3c(OCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
155549336 | 173691 | 0 | None | -102 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL4549208 | 173691 | 0 | None | -102 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL414051 | 211358 | 0 | None | -323 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||||
162648914 | 183059 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 753 | 17 | 7 | 5 | 4.7 | N/C(=N/C(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4746354 | 183059 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 753 | 17 | 7 | 5 | 4.7 | N/C(=N/C(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802592 | 183059 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 753 | 17 | 7 | 5 | 4.7 | N/C(=N/C(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
162662291 | 183132 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 681 | 15 | 7 | 5 | 3.3 | N/C(=N/C(=O)NCCNC(=O)c1ccc(F)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4764296 | 183132 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 681 | 15 | 7 | 5 | 3.3 | N/C(=N/C(=O)NCCNC(=O)c1ccc(F)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803298 | 183132 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 681 | 15 | 7 | 5 | 3.3 | N/C(=N/C(=O)NCCNC(=O)c1ccc(F)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
15383694 | 188547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 329 | 3 | 1 | 6 | 2.6 | Nc1cc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL51065 | 188547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 329 | 3 | 1 | 6 | 2.6 | Nc1cc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
9869677 | 61316 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 8 | 2 | 7 | 4.9 | CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771260 | 61316 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 477 | 8 | 2 | 7 | 4.9 | CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
49865808 | 15975 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 640 | 16 | 7 | 9 | 2.3 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCn1cc(CO)nn1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223996 | 15975 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 640 | 16 | 7 | 9 | 2.3 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCn1cc(CO)nn1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL604165 | 214044 | 0 | None | -8 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.12.068 | ||||
127041325 | 136605 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 714 | 15 | 6 | 8 | 4.4 | [N-]=[N+]=Nc1cccc(-n2cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)c1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746893 | 136605 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 714 | 15 | 6 | 8 | 4.4 | [N-]=[N+]=Nc1cccc(-n2cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)c1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747818 | 136605 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 714 | 15 | 6 | 8 | 4.4 | [N-]=[N+]=Nc1cccc(-n2cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)c1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL324554 | 109938 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 590 | 10 | 3 | 8 | 5.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
9869041 | 61315 | 7 | None | -3 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.5 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771259 | 61315 | 7 | None | -3 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.5 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL4290048 | 211742 | 0 | None | -25 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL413871 | 211345 | 0 | None | -7 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
11640844 | 5939 | 0 | None | 199 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080298 | 5939 | 0 | None | 199 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL2440924 | 208745 | 0 | None | 12 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
10605127 | 111148 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL328541 | 111148 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
45269310 | 194550 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 7 | 1 | 4 | 6.5 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCCC4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL561594 | 194550 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 7 | 1 | 4 | 6.5 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCCC4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
162661307 | 183125 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 677 | 16 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)Cc1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4765023 | 183125 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 677 | 16 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)Cc1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803242 | 183125 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 677 | 16 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)Cc1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
72205289 | 102069 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 703 | 21 | 8 | 7 | 1.2 | NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440932 | 102069 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 703 | 21 | 8 | 7 | 1.2 | NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040662 | 102069 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 703 | 21 | 8 | 7 | 1.2 | NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
155564444 | 174684 | 0 | None | 28 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2181 | 50 | 30 | 28 | -5.3 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4572358 | 174684 | 0 | None | 28 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 2181 | 50 | 30 | 28 | -5.3 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
44362820 | 34452 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 428 | 7 | 0 | 4 | 5.7 | CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL143014 | 34452 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 428 | 7 | 0 | 4 | 5.7 | CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL2440912 | 209221 | 0 | None | -10 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040729 | 209221 | 0 | None | -10 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
46879646 | 5423 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 5 | 2 | 6 | 6.2 | Clc1cc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2cc1Cl | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1076268 | 5423 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 5 | 2 | 6 | 6.2 | Clc1cc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2cc1Cl | 10.1016/j.bmcl.2009.09.048 | ||
46879607 | 5907 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 386 | 5 | 2 | 6 | 5.0 | Fc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080100 | 5907 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 386 | 5 | 2 | 6 | 5.0 | Fc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
45270136 | 193598 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 559 | 7 | 1 | 4 | 7.2 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccc(Cl)nc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL551206 | 193598 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 559 | 7 | 1 | 4 | 7.2 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccc(Cl)nc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL340208 | 117305 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 609 | 10 | 3 | 8 | 5.5 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
10791454 | 112076 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.2 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCCN2)cc1 | 10.1021/jm9706630 | ||
CHEMBL330066 | 112076 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.2 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCCN2)cc1 | 10.1021/jm9706630 | ||
21336500 | 101204 | 0 | None | -190 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 500 | 10 | 3 | 4 | 4.8 | O=S(=O)(NC[C@H]1CC[C@H](CNC(CO)Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL299295 | 101204 | 0 | None | -190 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 500 | 10 | 3 | 4 | 4.8 | O=S(=O)(NC[C@H]1CC[C@H](CNC(CO)Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | ||
15338882 | 178518 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 531 | 11 | 5 | 5 | 2.8 | COC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL471710 | 178518 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 531 | 11 | 5 | 5 | 2.8 | COC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
45269300 | 194417 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 545 | 8 | 1 | 6 | 7.4 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(c4ccccc4)(c4nnc(C)s4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL560795 | 194417 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 545 | 8 | 1 | 6 | 7.4 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(c4ccccc4)(c4nnc(C)s4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL2440917 | 209213 | 0 | None | 9 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CCCC(=O)NCCN(CCN)CCNC(=O)CCCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040656 | 209213 | 0 | None | 9 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CCCC(=O)NCCN(CCN)CCNC(=O)CCCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
46879609 | 5909 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 413 | 6 | 2 | 8 | 4.8 | O=[N+]([O-])c1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080102 | 5909 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 413 | 6 | 2 | 8 | 4.8 | O=[N+]([O-])c1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
46879780 | 5942 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 6 | 2 | 6 | 6.8 | c1ccc2sc(NCCc3ccc(NC4=NC(C5CCCCC5)CCS4)cc3)nc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080302 | 5942 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 6 | 2 | 6 | 6.8 | c1ccc2sc(NCCc3ccc(NC4=NC(C5CCCCC5)CCS4)cc3)nc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
15421872 | 118812 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 397 | 7 | 1 | 4 | 5.4 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCNCC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL344096 | 118812 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 397 | 7 | 1 | 4 | 5.4 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCNCC1 | 10.1016/s0960-894x(98)00048-1 | ||
10820168 | 96412 | 0 | None | 47 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | ||
CHEMBL265391 | 96412 | 0 | None | 47 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | ||
CHEMBL438548 | 212028 | 0 | None | -4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
46879608 | 5908 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 5 | 2 | 6 | 5.5 | Clc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080101 | 5908 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 5 | 2 | 6 | 5.5 | Clc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
46879453 | 5798 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 4.8 | Cc1cccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc12 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1079440 | 5798 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 4.8 | Cc1cccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc12 | 10.1016/j.bmcl.2009.09.048 | ||
21336511 | 190553 | 0 | None | -323 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL51884 | 190553 | 0 | None | -323 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL439307 | 212088 | 14 | None | 57 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | ||||
10768859 | 105487 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 542 | 7 | 5 | 4 | 5.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(/N=C(/Nc3ccc(O)cc3)NC(C)C)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL313007 | 105487 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 542 | 7 | 5 | 4 | 5.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(/N=C(/Nc3ccc(O)cc3)NC(C)C)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
73354090 | 102097 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 757 | 21 | 10 | 7 | 0.2 | NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440900 | 102097 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 757 | 21 | 10 | 7 | 0.2 | NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040756 | 102097 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 757 | 21 | 10 | 7 | 0.2 | NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
127030359 | 138677 | 0 | None | -309 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL3787528 | 138677 | 0 | None | -309 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL3787713 | 138677 | 0 | None | -309 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL4535525 | 138677 | 0 | None | -309 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
44362625 | 118813 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 628 | 7 | 0 | 4 | 7.3 | CN(C)C1CCN(CCc2c(COc3c(Br)cc(Br)cc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL344101 | 118813 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 628 | 7 | 0 | 4 | 7.3 | CN(C)C1CCN(CCc2c(COc3c(Br)cc(Br)cc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
46879524 | 5418 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 5.8 | Clc1cc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2cc1Cl | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1076234 | 5418 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 5.8 | Clc1cc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2cc1Cl | 10.1016/j.bmcl.2009.09.048 | ||
44362553 | 118287 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 508 | 10 | 0 | 5 | 6.6 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL342112 | 118287 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 508 | 10 | 0 | 5 | 6.6 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL2440927 | 209226 | 0 | None | 15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040781 | 209226 | 0 | None | 15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL124061 | 16423 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 591 | 10 | 4 | 9 | 4.5 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3cccc(O)c3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
44362784 | 118849 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 5.4 | Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)cc1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL344338 | 118849 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 5.4 | Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)cc1 | 10.1016/s0960-894x(99)00019-0 | ||
44362398 | 36640 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 470 | 8 | 0 | 4 | 6.7 | CN(C)C1CCN(CCc2c(COc3ccc(-c4ccccc4)cc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145061 | 36640 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 470 | 8 | 0 | 4 | 6.7 | CN(C)C1CCN(CCc2c(COc3ccc(-c4ccccc4)cc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
46879649 | 6208 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 4.9 | C[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1081732 | 6208 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 368 | 5 | 2 | 6 | 4.9 | C[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
54580549 | 61313 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 417 | 6 | 2 | 5 | 5.3 | Cc1cc(NCCNC2CCCC2)n2nc(C)c(-c3c(Cl)cccc3Cl)c2n1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771257 | 61313 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 417 | 6 | 2 | 5 | 5.3 | Cc1cc(NCCNC2CCCC2)n2nc(C)c(-c3c(Cl)cccc3Cl)c2n1 | 10.1016/j.bmcl.2010.12.116 | ||
54584288 | 61640 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 587 | 15 | 7 | 6 | 2.7 | N=C(N)N(CCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)C(=O)NCCCCN | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774207 | 61640 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 587 | 15 | 7 | 6 | 2.7 | N=C(N)N(CCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)C(=O)NCCCCN | 10.1016/j.bmc.2011.03.045 | ||
54587221 | 62789 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 932 | 21 | 6 | 6 | 6.7 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774212 | 62789 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 932 | 21 | 6 | 6 | 6.7 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789348 | 62789 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 932 | 21 | 6 | 6 | 6.7 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
44362861 | 120839 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 497 | 7 | 0 | 5 | 5.7 | CN(C)C1CCN(CCc2c(COc3ccc(C#N)cc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL358111 | 120839 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 497 | 7 | 0 | 5 | 5.7 | CN(C)C1CCN(CCc2c(COc3ccc(C#N)cc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
44362989 | 168069 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 520 | 7 | 0 | 4 | 5.7 | CN(C)C1CCN(CCc2c(COc3ccccc3I)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL436213 | 168069 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 520 | 7 | 0 | 4 | 5.7 | CN(C)C1CCN(CCc2c(COc3ccccc3I)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
162652708 | 183078 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 669 | 15 | 7 | 5 | 3.4 | N/C(=N/C(=O)NCCNC(=O)C1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4751668 | 183078 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 669 | 15 | 7 | 5 | 3.4 | N/C(=N/C(=O)NCCNC(=O)C1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802795 | 183078 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 669 | 15 | 7 | 5 | 3.4 | N/C(=N/C(=O)NCCNC(=O)C1CCCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
44362895 | 33955 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 462 | 6 | 1 | 4 | 5.9 | CN(C)C1CCN(CCc2c(C(O)c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL142603 | 33955 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 462 | 6 | 1 | 4 | 5.9 | CN(C)C1CCN(CCc2c(C(O)c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
10624729 | 106425 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 484 | 7 | 3 | 3 | 4.4 | CC(C)NC(=O)Cc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314662 | 106425 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 484 | 7 | 3 | 3 | 4.4 | CC(C)NC(=O)Cc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
9911304 | 61322 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 8 | 2 | 6 | 4.6 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNCC(F)F)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771266 | 61322 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 8 | 2 | 6 | 4.6 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNCC(F)F)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL591971 | 214026 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | ||||
CHEMBL4278700 | 211642 | 0 | None | -398 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4292105 | 211765 | 0 | None | -100 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL238533 | 208648 | 0 | None | -128 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
44350924 | 168422 | 0 | None | -58 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
91929378 | 168422 | 0 | None | -58 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
CHEMBL439122 | 168422 | 0 | None | -58 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
CHEMBL4279794 | 211651 | 0 | None | -1584 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4279133 | 211645 | 0 | None | -50 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4288294 | 211730 | 0 | None | -630 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
46879454 | 5799 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 384 | 6 | 2 | 7 | 4.5 | COc1cccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc12 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1079441 | 5799 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 384 | 6 | 2 | 7 | 4.5 | COc1cccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc12 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL127282 | 206928 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL4290048 | 211742 | 0 | None | -25 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
127041011 | 136603 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 688 | 14 | 7 | 8 | 3.1 | N/C(=N/C(=O)NCc1cn(-c2ccc(N)cc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747224 | 136603 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 688 | 14 | 7 | 8 | 3.1 | N/C(=N/C(=O)NCc1cn(-c2ccc(N)cc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747816 | 136603 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 688 | 14 | 7 | 8 | 3.1 | N/C(=N/C(=O)NCc1cn(-c2ccc(N)cc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL31913 | 107255 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 590 | 10 | 3 | 8 | 5.5 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3OC)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
54582344 | 61639 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 587 | 15 | 7 | 5 | 2.5 | NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774206 | 61639 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 587 | 15 | 7 | 5 | 2.5 | NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
44362660 | 37407 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 11 | 0 | 5 | 6.9 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCN2CCCCC2)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL145714 | 37407 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 11 | 0 | 5 | 6.9 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCN2CCCCC2)CC1 | 10.1016/s0960-894x(99)00082-7 | ||
44373216 | 96450 | 22 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 490 | 12 | 1 | 6 | 5.7 | c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCNCC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL265752 | 96450 | 22 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 490 | 12 | 1 | 6 | 5.7 | c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCNCC2)cc1 | 10.1016/s0960-894x(99)00082-7 | ||
CHEMBL3349039 | 209661 | 0 | None | -4 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
44362660 | 37407 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 11 | 0 | 5 | 6.9 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL145714 | 37407 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 11 | 0 | 5 | 6.9 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
127041307 | 136530 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 714 | 15 | 6 | 8 | 4.4 | [N-]=[N+]=Nc1ccc(-n2cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746796 | 136530 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 714 | 15 | 6 | 8 | 4.4 | [N-]=[N+]=Nc1ccc(-n2cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
10076108 | 178378 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 545 | 12 | 5 | 5 | 3.2 | CCOC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
CHEMBL470496 | 178378 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 545 | 12 | 5 | 5 | 3.2 | CCOC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm801018u | ||
10524003 | 15354 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 382 | 6 | 0 | 3 | 5.4 | Cn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc21 | 10.1021/jm970512x | ||
CHEMBL121799 | 15354 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 382 | 6 | 0 | 3 | 5.4 | Cn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc21 | 10.1021/jm970512x | ||
21129772 | 168857 | 3 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm9706630 | ||
CHEMBL44246 | 168857 | 3 | None | -2 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/jm9706630 | ||
CHEMBL413426 | 211318 | 0 | None | 20 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC | 10.1021/jm010031k | ||||
CHEMBL4278700 | 211642 | 0 | None | -398 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4292105 | 211765 | 0 | None | -100 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
49865804 | 15971 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 790 | 23 | 7 | 8 | 5.3 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(=O)OCc1ccccc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223991 | 15971 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 790 | 23 | 7 | 8 | 5.3 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(=O)OCc1ccccc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL2440925 | 209217 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040675 | 209217 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
44350924 | 168422 | 0 | None | -58 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
91929378 | 168422 | 0 | None | -58 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
CHEMBL439122 | 168422 | 0 | None | -58 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
CHEMBL4279794 | 211651 | 0 | None | -1584 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
53359565 | 136521 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 860 | 18 | 6 | 12 | 4.1 | CN(Cc1cn(-c2ccc(-n3cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1)c1ccncc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746696 | 136521 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 860 | 18 | 6 | 12 | 4.1 | CN(Cc1cn(-c2ccc(-n3cc(CNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1)c1ccncc1 | 10.1021/acs.jmedchem.5b00925 | ||
155543070 | 172618 | 0 | None | -245 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL4522438 | 172618 | 0 | None | -245 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL4570354 | 172618 | 0 | None | -245 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
10673317 | 111928 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 397 | 7 | 1 | 4 | 5.4 | Cc1cccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c12 | 10.1021/jm9706630 | ||
CHEMBL329786 | 111928 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 397 | 7 | 1 | 4 | 5.4 | Cc1cccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c12 | 10.1021/jm9706630 | ||
44362810 | 37533 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 6.5 | COC(c1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145808 | 37533 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 6.5 | COC(c1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL4279133 | 211645 | 0 | None | -50 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4288294 | 211730 | 0 | None | -630 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL124150 | 16444 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 605 | 11 | 3 | 9 | 4.8 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
49865810 | 15977 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 735 | 16 | 10 | 12 | -0.1 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223998 | 15977 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 735 | 16 | 10 | 12 | -0.1 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O | 10.1016/j.bmc.2010.07.028 | ||
127041326 | 136606 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 687 | 14 | 5 | 7 | 3.8 | CN(Cc1cn(-c2ccccc2)nn1)C(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746492 | 136606 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 687 | 14 | 5 | 7 | 3.8 | CN(Cc1cn(-c2ccccc2)nn1)C(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747819 | 136606 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 687 | 14 | 5 | 7 | 3.8 | CN(Cc1cn(-c2ccccc2)nn1)C(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
72205667 | 102095 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 600 | 17 | 8 | 5 | 2.4 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCN)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2441114 | 102095 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 600 | 17 | 8 | 5 | 2.4 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCN)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040753 | 102095 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 600 | 17 | 8 | 5 | 2.4 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCN)cc1 | 10.1016/j.bmc.2013.08.065 | ||
10818866 | 205394 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL92148 | 205394 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1 | 10.1021/jm9706630 | ||
127031281 | 138676 | 0 | None | -301 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL3785569 | 138676 | 0 | None | -301 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL3787712 | 138676 | 0 | None | -301 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL410007 | 211048 | 0 | None | -1023 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||||
10815247 | 106399 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 500 | 7 | 3 | 4 | 5.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(COC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314520 | 106399 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 500 | 7 | 3 | 4 | 5.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(COC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL2311081 | 207759 | 0 | None | -58 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
45268459 | 194500 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 547 | 7 | 1 | 5 | 5.9 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCOC4=O)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL561332 | 194500 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 547 | 7 | 1 | 5 | 5.9 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCOC4=O)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
54580353 | 62837 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1004 | 26 | 7 | 8 | 6.7 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774343 | 62837 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1004 | 26 | 7 | 8 | 6.7 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789807 | 62837 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1004 | 26 | 7 | 8 | 6.7 | CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)NCCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL2440926 | 209214 | 0 | None | 13 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040657 | 209214 | 0 | None | 13 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
44362777 | 33901 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 5.4 | Cc1ccccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL142561 | 33901 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 5.4 | Cc1ccccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
44362832 | 37388 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 486 | 7 | 0 | 4 | 6.1 | Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145693 | 37388 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 486 | 7 | 0 | 4 | 6.1 | Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
44362723 | 120585 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 446 | 6 | 0 | 3 | 6.4 | CN(C)C1CCN(CCc2c(Cc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL357184 | 120585 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 446 | 6 | 0 | 3 | 6.4 | CN(C)C1CCN(CCc2c(Cc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
136216703 | 78495 | 0 | None | -208 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 482 | 2 | 4 | 7 | 4.0 | N[C@H]1CCCC[C@@H]1NC(=O)c1c2c(c3c4c(ncnc14)-c1ccccc1C3=O)N[C@@H]1CCCC[C@H]1N2 | 10.1016/s0960-894x(99)00075-x | ||
CHEMBL2112936 | 78495 | 0 | None | -208 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 482 | 2 | 4 | 7 | 4.0 | N[C@H]1CCCC[C@@H]1NC(=O)c1c2c(c3c4c(ncnc14)-c1ccccc1C3=O)N[C@@H]1CCCC[C@H]1N2 | 10.1016/s0960-894x(99)00075-x | ||
44362610 | 37359 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 483 | 10 | 0 | 6 | 5.6 | CCOC(=O)CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL145663 | 37359 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 483 | 10 | 0 | 6 | 5.6 | CCOC(=O)CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
25147723 | 12572 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1295 | 32 | 10 | 14 | 6.9 | N/C(=N/C(=O)CCCn1cc(-c2ccc(-c3cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
25147724 | 12572 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1295 | 32 | 10 | 14 | 6.9 | N/C(=N/C(=O)CCCn1cc(-c2ccc(-c3cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
91934897 | 12572 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1295 | 32 | 10 | 14 | 6.9 | N/C(=N/C(=O)CCCn1cc(-c2ccc(-c3cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL1187385 | 12572 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1295 | 32 | 10 | 14 | 6.9 | N/C(=N/C(=O)CCCn1cc(-c2ccc(-c3cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL501317 | 12572 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1295 | 32 | 10 | 14 | 6.9 | N/C(=N/C(=O)CCCn1cc(-c2ccc(-c3cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
45268483 | 193111 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 599 | 7 | 1 | 4 | 6.3 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL538380 | 193111 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 599 | 7 | 1 | 4 | 6.3 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
10624769 | 204836 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 485 | 6 | 4 | 3 | 4.9 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL88742 | 204836 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 485 | 6 | 4 | 3 | 4.9 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10722606 | 205738 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 11 | 1 | 6 | 5.9 | Clc1ccc(OCc2nc3c(OCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL94292 | 205738 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 510 | 11 | 1 | 6 | 5.9 | Clc1ccc(OCc2nc3c(OCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL2440917 | 209213 | 0 | None | 9 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CCCC(=O)NCCN(CCN)CCNC(=O)CCCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040656 | 209213 | 0 | None | 9 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CCCC(=O)NCCN(CCN)CCNC(=O)CCCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL265426 | 208905 | 0 | None | 77 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | ||||
45271861 | 193436 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 533 | 6 | 1 | 3 | 5.9 | C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL549917 | 193436 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 533 | 6 | 1 | 3 | 5.9 | C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccc(F)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
10625004 | 112570 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 493 | 6 | 0 | 5 | 5.1 | Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)N2CCC(N3CCCCC3)CC2)c2ccccc21 | 10.1021/jm970512x | ||
CHEMBL331202 | 112570 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 493 | 6 | 0 | 5 | 5.1 | Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)N2CCC(N3CCCCC3)CC2)c2ccccc21 | 10.1021/jm970512x | ||
CHEMBL2440192 | 208736 | 0 | None | -831 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](N)Cc1ccc(O)cc1 | 10.1021/jm4008505 | ||||
155524657 | 170422 | 0 | None | -794 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL4456247 | 170422 | 0 | None | -794 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL4540843 | 212240 | 15 | None | -467 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.1c01574 | ||||
CHEMBL4540843 | 212240 | 15 | None | -467 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.1c01574 | ||||
45271838 | 193707 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 546 | 7 | 2 | 4 | 5.5 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCNC4=O)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL551933 | 193707 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 546 | 7 | 2 | 4 | 5.5 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCNC4=O)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
162655171 | 183091 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 643 | 14 | 7 | 5 | 2.9 | CC(C)(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4756494 | 183091 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 643 | 14 | 7 | 5 | 2.9 | CC(C)(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802928 | 183091 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 643 | 14 | 7 | 5 | 2.9 | CC(C)(C)C(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
44362773 | 32590 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 424 | 8 | 1 | 5 | 4.5 | CN(C)C1CCN(CCc2c(COc3ccccc3CO)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL141442 | 32590 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 424 | 8 | 1 | 5 | 4.5 | CN(C)C1CCN(CCc2c(COc3ccccc3CO)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
44362764 | 37426 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 472 | 7 | 0 | 4 | 5.8 | CN(C)C1CCN(CCc2c(COc3ccccc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145726 | 37426 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 472 | 7 | 0 | 4 | 5.8 | CN(C)C1CCN(CCc2c(COc3ccccc3Br)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
10552954 | 106421 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 5.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(OC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314637 | 106421 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 5.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(OC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
44362765 | 37048 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 474 | 7 | 1 | 5 | 6.2 | CN(C)C1CCN(CCc2c(/C=N/Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145392 | 37048 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 474 | 7 | 1 | 5 | 6.2 | CN(C)C1CCN(CCc2c(/C=N/Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
46231126 | 196791 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 2031 | 71 | 25 | 26 | -0.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)NCCCCCCCC(=O)O)CCN(CC(=O)NCCCCCCCC(=O)O)CCN(CC(=O)NCCCCCCCC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1016/j.bmcl.2009.12.068 | ||
91937010 | 196791 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 2031 | 71 | 25 | 26 | -0.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)NCCCCCCCC(=O)O)CCN(CC(=O)NCCCCCCCC(=O)O)CCN(CC(=O)NCCCCCCCC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1016/j.bmcl.2009.12.068 | ||
CHEMBL577447 | 196791 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 2031 | 71 | 25 | 26 | -0.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)NCCCCCCCC(=O)O)CCN(CC(=O)NCCCCCCCC(=O)O)CCN(CC(=O)NCCCCCCCC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1016/j.bmcl.2009.12.068 | ||
164616390 | 184694 | 0 | None | -234 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1093 | 27 | 20 | 14 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | ||
CHEMBL4858915 | 184694 | 0 | None | -234 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1093 | 27 | 20 | 14 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | ||
CHEMBL438548 | 212028 | 0 | None | -4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | ||||
49865800 | 15968 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 711 | 25 | 6 | 5 | 8.2 | CCCCCCCCCCCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223987 | 15968 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 711 | 25 | 6 | 5 | 8.2 | CCCCCCCCCCCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
1507 | 2839 | 0 | None | -346 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
44351001 | 2839 | 0 | None | -346 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
91929182 | 2839 | 0 | None | -346 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
CHEMBL265849 | 2839 | 0 | None | -346 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
46879876 | 5994 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc([C@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080655 | 5994 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc([C@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
45273649 | 194124 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 531 | 7 | 1 | 4 | 5.2 | COc1ccc(CN[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL557932 | 194124 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 531 | 7 | 1 | 4 | 5.2 | COc1ccc(CN[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
10601025 | 111861 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 487 | 6 | 4 | 4 | 4.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)COc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL329425 | 111861 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 487 | 6 | 4 | 4 | 4.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)COc3ccccc32)c1 | 10.1021/jm990044m | ||
9820766 | 164694 | 36 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.7 | CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL422942 | 164694 | 36 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 371 | 4 | 1 | 6 | 3.7 | CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | ||
45273630 | 194029 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 6.3 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(NC(C)=O)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL556915 | 194029 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 8 | 2 | 4 | 6.3 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(NC(C)=O)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL2440914 | 209223 | 0 | None | 8 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040731 | 209223 | 0 | None | 8 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
46879690 | 6038 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 2 | 6 | 5.6 | CCCC1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080826 | 6038 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 396 | 7 | 2 | 6 | 5.6 | CCCC1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
21336495 | 101554 | 0 | None | -1737 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL301747 | 101554 | 0 | None | -1737 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL429071 | 211752 | 0 | None | 81 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | ||||
44588507 | 12357 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 686 | 16 | 5 | 7 | 4.3 | N/C(=N/C(=O)CCCn1cc(-c2ccccc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL1186145 | 12357 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 686 | 16 | 5 | 7 | 4.3 | N/C(=N/C(=O)CCCn1cc(-c2ccccc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL451670 | 12357 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 686 | 16 | 5 | 7 | 4.3 | N/C(=N/C(=O)CCCn1cc(-c2ccccc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
45269305 | 194476 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 518 | 8 | 1 | 4 | 6.7 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(c4ccccc4)(N(C)C(C)=O)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL561193 | 194476 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 518 | 8 | 1 | 4 | 6.7 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(c4ccccc4)(N(C)C(C)=O)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL386823 | 210648 | 9 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | ||||
54583518 | 61318 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 7 | 2 | 7 | 4.9 | COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771262 | 61318 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 477 | 7 | 2 | 7 | 4.9 | COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
9956814 | 61320 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 479 | 7 | 2 | 6 | 5.6 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCCCC4F)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771264 | 61320 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 479 | 7 | 2 | 6 | 5.6 | COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCCCC4F)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL591971 | 214026 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | ||||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2011.03.045 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2011.03.045 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 10.1016/j.bmc.2011.03.045 | ||
9807379 | 204893 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 6 | 4 | 5 | 5.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ncsc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL89078 | 204893 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 6 | 4 | 5 | 5.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ncsc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL437656 | 211981 | 0 | None | -3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | ||||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
21188533 | 167683 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 536 | 12 | 0 | 5 | 7.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL433734 | 167683 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 536 | 12 | 0 | 5 | 7.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL2440182 | 208728 | 0 | None | 12 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]2[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)[C@H]2C(=O)OC)[C@H]1C(=O)OC | 10.1021/jm4008505 | ||||
CHEMBL4276961 | 211620 | 0 | None | -5011 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
11560009 | 5936 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 5.2 | CC1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080291 | 5936 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 5.2 | CC1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
54581331 | 62815 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 848 | 21 | 5 | 5 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774216 | 62815 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 848 | 21 | 5 | 5 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789555 | 62815 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 848 | 21 | 5 | 5 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL2440928 | 209215 | 0 | None | 7 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040658 | 209215 | 0 | None | 7 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL4276961 | 211620 | 0 | None | -5011 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4280392 | 211658 | 0 | None | -389 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281010 | 211665 | 0 | None | -251 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4282616 | 211684 | 0 | None | -100 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4291016 | 211757 | 0 | None | -50 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4280392 | 211658 | 0 | None | -389 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281010 | 211665 | 0 | None | -251 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4282616 | 211684 | 0 | None | -100 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4291016 | 211757 | 0 | None | -50 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL124151 | 16445 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 5.1 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(C)cc3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
49865813 | 15981 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 628 | 17 | 9 | 6 | 2.8 | N=C(N)NCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1224001 | 15981 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 628 | 17 | 9 | 6 | 2.8 | N=C(N)NCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2010.07.028 | ||
21188533 | 167683 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 536 | 12 | 0 | 5 | 7.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL433734 | 167683 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 536 | 12 | 0 | 5 | 7.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCCN2CCCCC2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
21188571 | 168851 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 411 | 7 | 0 | 4 | 5.7 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(C)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL442412 | 168851 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 411 | 7 | 0 | 4 | 5.7 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(C)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
162654570 | 183087 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 655 | 15 | 7 | 5 | 3.0 | N/C(=N/C(=O)NCCNC(=O)C1CCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4755079 | 183087 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 655 | 15 | 7 | 5 | 3.0 | N/C(=N/C(=O)NCCNC(=O)C1CCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4802896 | 183087 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 655 | 15 | 7 | 5 | 3.0 | N/C(=N/C(=O)NCCNC(=O)C1CCCC1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
46879610 | 5789 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 446 | 6 | 2 | 8 | 4.3 | CS(=O)(=O)c1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1079388 | 5789 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 446 | 6 | 2 | 8 | 4.3 | CS(=O)(=O)c1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL337939 | 116321 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 484 | 8 | 3 | 7 | 4.1 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCCCC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
46879522 | 5847 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 6 | 2 | 8 | 4.4 | O=[N+]([O-])c1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1079729 | 5847 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 6 | 2 | 8 | 4.4 | O=[N+]([O-])c1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
11654472 | 5937 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 410 | 6 | 2 | 6 | 5.9 | CC(C)C1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080292 | 5937 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 410 | 6 | 2 | 6 | 5.9 | CC(C)C1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL2440913 | 209222 | 0 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040730 | 209222 | 0 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
10839529 | 163256 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 7 | 2 | 5 | 4.8 | Oc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCCNC1 | 10.1021/jm9706630 | ||
CHEMBL420613 | 163256 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 399 | 7 | 2 | 5 | 4.8 | Oc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCCNC1 | 10.1021/jm9706630 | ||
46879781 | 5995 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080660 | 5995 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
11670084 | 6200 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 474 | 7 | 2 | 7 | 6.6 | COc1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1081711 | 6200 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 474 | 7 | 2 | 7 | 6.6 | COc1ccc(C2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
10601682 | 163099 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 506 | 7 | 3 | 4 | 4.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NS(=O)(=O)c3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL420426 | 163099 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 506 | 7 | 3 | 4 | 4.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NS(=O)(=O)c3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
9806472 | 161442 | 0 | None | -257 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL415926 | 161442 | 0 | None | -257 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | ||
10671331 | 16288 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 5.9 | Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(N3CCCCC3)CC2)c2ccccc21 | 10.1021/jm970512x | ||
CHEMBL123413 | 16288 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 6 | 0 | 4 | 5.9 | Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(N3CCCCC3)CC2)c2ccccc21 | 10.1021/jm970512x | ||
54586222 | 62791 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1743 | 49 | 14 | 14 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
91932454 | 62791 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1743 | 49 | 14 | 14 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774347 | 62791 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1743 | 49 | 14 | 14 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789351 | 62791 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1743 | 49 | 14 | 14 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCNC(=O)CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
10816198 | 105454 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 536 | 6 | 4 | 4 | 5.4 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ncccc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL312841 | 105454 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 536 | 6 | 4 | 4 | 5.4 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ncccc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10625178 | 106470 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 6 | 4 | 3 | 5.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314961 | 106470 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 6 | 4 | 3 | 5.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCCc3ccccc32)c1 | 10.1021/jm990044m | ||
162670721 | 183170 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 663 | 15 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4792205 | 183170 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 663 | 15 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
CHEMBL4803781 | 183170 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 663 | 15 | 7 | 5 | 3.1 | N/C(=N/C(=O)NCCNC(=O)c1ccccc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1039/c9md00538b | ||
44363018 | 121460 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 6 | 0 | 4 | 6.0 | CN(C)C1CCN(CCc2c(C(=O)c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL359174 | 121460 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 460 | 6 | 0 | 4 | 6.0 | CN(C)C1CCN(CCc2c(C(=O)c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
21188733 | 118934 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 515 | 11 | 0 | 4 | 7.7 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCc2ccccc2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL344971 | 118934 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 515 | 11 | 0 | 4 | 7.7 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCc2ccccc2)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
19426762 | 192839 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 1 | 6 | 2.7 | Nc1cc(S(=O)(=O)c2ccccc2F)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL52643 | 192839 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 1 | 6 | 2.7 | Nc1cc(S(=O)(=O)c2ccccc2F)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
44588503 | 12598 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1439 | 46 | 10 | 19 | 5.3 | N/C(=N/C(=O)CCCn1cc(COCCOCCOCCOCCOCc2cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
49797584 | 12598 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1439 | 46 | 10 | 19 | 5.3 | N/C(=N/C(=O)CCCn1cc(COCCOCCOCCOCCOCc2cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL1187587 | 12598 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1439 | 46 | 10 | 19 | 5.3 | N/C(=N/C(=O)CCCn1cc(COCCOCCOCCOCCOCc2cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL510439 | 12598 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1439 | 46 | 10 | 19 | 5.3 | N/C(=N/C(=O)CCCn1cc(COCCOCCOCCOCCOCc2cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
44362628 | 37380 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 538 | 8 | 0 | 4 | 7.9 | CN(C)C1CCN(CCc2c(C(Oc3ccc(Cl)cc3Cl)c3ccccc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145686 | 37380 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 538 | 8 | 0 | 4 | 7.9 | CN(C)C1CCN(CCc2c(C(Oc3ccc(Cl)cc3Cl)c3ccccc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
49865803 | 15970 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 949 | 25 | 8 | 10 | 4.2 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)COCCOCCOCC(=O)NCCNC(=O)C1=C2C=Cc3cccc4c3C2C(=CC4)C=C1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223990 | 15970 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 949 | 25 | 8 | 10 | 4.2 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)COCCOCCOCC(=O)NCCNC(=O)C1=C2C=Cc3cccc4c3C2C(=CC4)C=C1 | 10.1016/j.bmc.2010.07.028 | ||
46879523 | 5848 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 6 | 2 | 8 | 3.9 | CS(=O)(=O)c1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1079730 | 5848 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 6 | 2 | 8 | 3.9 | CS(=O)(=O)c1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
15383698 | 188535 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 343 | 3 | 1 | 6 | 2.9 | Cc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL51048 | 188535 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 343 | 3 | 1 | 6 | 2.9 | Cc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 | 10.1016/0960-894X(96)00319-8 | ||
10747659 | 112110 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL330223 | 112110 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 524 | 12 | 2 | 6 | 6.2 | Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1 | 10.1021/jm9706630 | ||
44588505 | 12351 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1133 | 32 | 10 | 11 | 4.1 | N/C(=N/C(=O)COCCOCCOCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL1186104 | 12351 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1133 | 32 | 10 | 11 | 4.1 | N/C(=N/C(=O)COCCOCCOCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL450031 | 12351 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1133 | 32 | 10 | 11 | 4.1 | N/C(=N/C(=O)COCCOCCOCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2008.09.033 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
49865809 | 15976 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 639 | 16 | 7 | 9 | 2.3 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCn1cc(CN)nn1 | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223997 | 15976 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 639 | 16 | 7 | 9 | 2.3 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCn1cc(CN)nn1 | 10.1016/j.bmc.2010.07.028 | ||
127041012 | 136604 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 673 | 14 | 6 | 7 | 3.5 | N/C(=N/C(=O)NCc1cn(-c2ccccc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3746793 | 136604 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 673 | 14 | 6 | 7 | 3.5 | N/C(=N/C(=O)NCc1cn(-c2ccccc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL3747817 | 136604 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 673 | 14 | 6 | 7 | 3.5 | N/C(=N/C(=O)NCc1cn(-c2ccccc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1021/acs.jmedchem.5b00925 | ||
CHEMBL429159 | 211759 | 0 | None | -100 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | ||||
54584307 | 62788 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1601 | 43 | 12 | 12 | 9.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
91932452 | 62788 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1601 | 43 | 12 | 12 | 9.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774345 | 62788 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1601 | 43 | 12 | 12 | 9.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789347 | 62788 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1601 | 43 | 12 | 12 | 9.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN(CCNC(=O)CCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
10554910 | 105673 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 561 | 7 | 4 | 3 | 6.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(-c4ccccc4)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL313612 | 105673 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 561 | 7 | 4 | 3 | 6.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(-c4ccccc4)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
46879563 | 6102 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 5.2 | Cc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1081181 | 6102 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 382 | 5 | 2 | 6 | 5.2 | Cc1ccc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2c1 | 10.1016/j.bmcl.2009.09.048 | ||
11669044 | 5940 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 424 | 7 | 2 | 6 | 6.3 | CC(C)CC1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080300 | 5940 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 424 | 7 | 2 | 6 | 6.3 | CC(C)CC1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL592100 | 214027 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1016/j.bmcl.2009.12.068 | ||||
CHEMBL2440923 | 208744 | 0 | None | 31 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | N/C(=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL4277590 | 211625 | 0 | None | -1258 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4277676 | 211627 | 0 | None | -794 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4277590 | 211625 | 0 | None | -1258 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4277676 | 211627 | 0 | None | -794 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4287058 | 211719 | 0 | None | -2511 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4290891 | 211756 | 0 | None | -199 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4287058 | 211719 | 0 | None | -2511 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4290891 | 211756 | 0 | None | -199 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL2440916 | 209216 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CCC(=O)NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
CHEMBL3040674 | 209216 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CCC(=O)NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||||
10554549 | 204333 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 544 | 8 | 6 | 5 | 3.8 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(/N=C(\NCCO)Nc3ccc(O)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL85297 | 204333 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 544 | 8 | 6 | 5 | 3.8 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(/N=C(\NCCO)Nc3ccc(O)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
44362878 | 121465 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 5 | 0 | 3 | 6.4 | CN(C)C1CCN(CCc2c(-c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL359192 | 121465 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 5 | 0 | 3 | 6.4 | CN(C)C1CCN(CCc2c(-c3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
10649849 | 167432 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 528 | 7 | 4 | 4 | 5.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(N(C)C)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL431990 | 167432 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 528 | 7 | 4 | 4 | 5.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(N(C)C)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL124275 | 16509 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 4.8 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
44362460 | 33835 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 515 | 9 | 1 | 5 | 5.5 | CNCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL142495 | 33835 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 515 | 9 | 1 | 5 | 5.5 | CNCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL340209 | 117306 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 643 | 10 | 3 | 8 | 6.1 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
CHEMBL124953 | 16693 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 558 | 9 | 3 | 8 | 4.8 | CO/C(O)=C1\C(C)=NC(C)=C(C#N)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
46879691 | 6039 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 410 | 8 | 2 | 6 | 6.0 | CCCCC1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1080827 | 6039 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 410 | 8 | 2 | 6 | 6.0 | CCCCC1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
44362815 | 118707 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 6.9 | CC(CN1CCC(N(C)C)CC1)c1c(COc2ccc(Cl)cc2Cl)sc2ccccc12 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL343313 | 118707 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 476 | 7 | 0 | 4 | 6.9 | CC(CN1CCC(N(C)C)CC1)c1c(COc2ccc(Cl)cc2Cl)sc2ccccc12 | 10.1016/s0960-894x(99)00019-0 | ||
10578417 | 167433 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 542 | 6 | 4 | 5 | 5.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3nc4ccccc4s3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL431994 | 167433 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 542 | 6 | 4 | 5 | 5.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3nc4ccccc4s3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10838640 | 204258 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 5.3 | CC(C)OC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL84632 | 204258 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 5.3 | CC(C)OC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
9932616 | 61314 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 4.5 | Cc1cc(NCCNC2CCOCC2)n2nc(C)c(-c3c(Cl)cccc3Cl)c2n1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771258 | 61314 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 4.5 | Cc1cc(NCCNC2CCOCC2)n2nc(C)c(-c3c(Cl)cccc3Cl)c2n1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL592121 | 214029 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | ||||
10747569 | 205281 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 5.8 | Clc1ccc(OCc2nc3c(OCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL91462 | 205281 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 11 | 2 | 6 | 5.8 | Clc1ccc(OCc2nc3c(OCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
45269316 | 194605 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 5.7 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL561999 | 194605 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 5.7 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
72205287 | 102070 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 647 | 19 | 7 | 7 | 1.7 | NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440930 | 102070 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 647 | 19 | 7 | 7 | 1.7 | NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040665 | 102070 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 647 | 19 | 7 | 7 | 1.7 | NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
9806521 | 96099 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 6 | 5 | 4 | 4.5 | C/N=C(/Nc1ccc(O)cc1)NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O | 10.1021/jm990044m | ||
CHEMBL262904 | 96099 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 6 | 5 | 4 | 4.5 | C/N=C(/Nc1ccc(O)cc1)NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O | 10.1021/jm990044m | ||
45270973 | 193426 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL549851 | 193426 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccccc4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL2371908 | 208403 | 0 | None | -151 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050907d | ||||
10601584 | 106686 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 503 | 6 | 4 | 3 | 5.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3F)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL316366 | 106686 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 503 | 6 | 4 | 3 | 5.0 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3F)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10768834 | 106424 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 541 | 6 | 4 | 4 | 6.1 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ccsc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314656 | 106424 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 541 | 6 | 4 | 4 | 6.1 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ccsc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10768322 | 194128 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 521 | 6 | 4 | 3 | 5.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(F)cc3F)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL557948 | 194128 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 521 | 6 | 4 | 3 | 5.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(F)cc3F)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10649770 | 204543 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 525 | 6 | 4 | 4 | 5.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ccoc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL86898 | 204543 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 525 | 6 | 4 | 4 | 5.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ccoc4c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10601376 | 205330 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL91738 | 205330 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
10741628 | 204949 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 437 | 6 | 4 | 3 | 3.9 | CC(C)NC(=O)Nc1cccc(CN2CCCCC(NC(=O)Nc3ccccc3)C2=O)c1 | 10.1021/jm990044m | ||
CHEMBL89460 | 204949 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 437 | 6 | 4 | 3 | 3.9 | CC(C)NC(=O)Nc1cccc(CN2CCCCC(NC(=O)Nc3ccccc3)C2=O)c1 | 10.1021/jm990044m | ||
10786219 | 106674 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 5.1 | Clc1ccc(OCc2nc3ccccc3n2CCCN2CCCCC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL316291 | 106674 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 5.1 | Clc1ccc(OCc2nc3ccccc3n2CCCN2CCCCC2)cc1 | 10.1021/jm9706630 | ||
73355615 | 102094 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 903 | 31 | 10 | 10 | 0.6 | NCCCOCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440910 | 102094 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 903 | 31 | 10 | 10 | 0.6 | NCCCOCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040752 | 102094 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 903 | 31 | 10 | 10 | 0.6 | NCCCOCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
10744516 | 204697 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 6 | 4 | 3 | 5.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL87896 | 204697 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 6 | 4 | 3 | 5.5 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(Cl)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
46879692 | 5425 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 410 | 7 | 2 | 6 | 5.9 | CC(C)C[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1076276 | 5425 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 410 | 7 | 2 | 6 | 5.9 | CC(C)C[C@@H]1CSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
44362831 | 118616 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 540 | 7 | 0 | 4 | 6.8 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(F)(F)F)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL342751 | 118616 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 540 | 7 | 0 | 4 | 6.8 | CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(F)(F)F)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
127029975 | 138686 | 0 | None | -144 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL3785576 | 138686 | 0 | None | -144 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL3787766 | 138686 | 0 | None | -144 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
49865811 | 15978 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 700 | 21 | 8 | 7 | 3.7 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(=O)O | 10.1016/j.bmc.2010.07.028 | ||
CHEMBL1223999 | 15978 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 700 | 21 | 8 | 7 | 3.7 | N=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCCCCC(=O)NCCC(=O)O | 10.1016/j.bmc.2010.07.028 | ||
72205853 | 102072 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 713 | 21 | 9 | 6 | 2.1 | CCC(=O)NCC(=O)NCCCCNC(=O)NCc1ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440920 | 102072 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 713 | 21 | 9 | 6 | 2.1 | CCC(=O)NCC(=O)NCCCCNC(=O)NCc1ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040669 | 102072 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 713 | 21 | 9 | 6 | 2.1 | CCC(=O)NCC(=O)NCCCCNC(=O)NCc1ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c2ccccc2)c2ccccc2)cc1 | 10.1016/j.bmc.2013.08.065 | ||
10599930 | 111058 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 457 | 5 | 4 | 3 | 4.1 | CNC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL328000 | 111058 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 457 | 5 | 4 | 3 | 4.1 | CNC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
44294942 | 185945 | 0 | None | -58 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 446 | 11 | 2 | 3 | 5.6 | O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL48777 | 185945 | 0 | None | -58 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 446 | 11 | 2 | 3 | 5.6 | O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | ||
44362412 | 37197 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 6.1 | CN(C)C1CCN(CCc2c(COc3ccc(C(F)(F)F)cc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145510 | 37197 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 462 | 7 | 0 | 4 | 6.1 | CN(C)C1CCN(CCc2c(COc3ccc(C(F)(F)F)cc3)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
10720174 | 204738 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 7 | 4 | 3 | 5.1 | CC(C)CNC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL88141 | 204738 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 7 | 4 | 3 | 5.1 | CC(C)CNC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL3104112 | 209307 | 0 | None | -83 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2013.11.061 | ||||
164616390 | 184694 | 0 | None | -234 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1093 | 27 | 20 | 14 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | ||
CHEMBL4858915 | 184694 | 0 | None | -234 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1093 | 27 | 20 | 14 | -4.5 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | ||
73352596 | 102079 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 845 | 27 | 10 | 9 | 0.2 | NCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440908 | 102079 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 845 | 27 | 10 | 9 | 0.2 | NCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040698 | 102079 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 845 | 27 | 10 | 9 | 0.2 | NCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
44362863 | 36823 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 486 | 7 | 0 | 4 | 6.1 | Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(Br)c1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145205 | 36823 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 486 | 7 | 0 | 4 | 6.1 | Cc1ccc(OCc2sc3ccccc3c2CCN2CCC(N(C)C)CC2)c(Br)c1 | 10.1016/s0960-894x(99)00019-0 | ||
10531064 | 106530 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 568 | 6 | 4 | 5 | 4.1 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL315378 | 106530 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 568 | 6 | 4 | 5 | 4.1 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10719643 | 112315 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.8 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCN2)cc1 | 10.1021/jm9706630 | ||
CHEMBL330703 | 112315 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.8 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCN2)cc1 | 10.1021/jm9706630 | ||
45270156 | 193365 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 5.7 | COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL549377 | 193365 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 545 | 7 | 1 | 4 | 5.7 | COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1 | 10.1016/j.bmcl.2009.06.050 | ||
44362704 | 36756 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 456 | 4 | 0 | 3 | 6.2 | CN(C)C1CCN(CCc2c(C#Cc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL145161 | 36756 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 456 | 4 | 0 | 3 | 6.2 | CN(C)C1CCN(CCc2c(C#Cc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL4282168 | 211681 | 0 | None | -2511 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4282168 | 211681 | 0 | None | -2511 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
9805674 | 61317 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 491 | 9 | 2 | 7 | 5.3 | CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
CHEMBL1771261 | 61317 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 491 | 9 | 2 | 7 | 5.3 | CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 | 10.1016/j.bmcl.2010.12.116 | ||
155546907 | 173063 | 0 | None | 19 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 2379 | 58 | 36 | 30 | -6.0 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL4534028 | 173063 | 0 | None | 19 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 2379 | 58 | 36 | 30 | -6.0 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00027 | ||
CHEMBL2371911 | 208406 | 0 | None | -29 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
10577766 | 112287 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 515 | 7 | 4 | 4 | 4.9 | COc1ccc(NC(=O)NC2CCc3ccccc3N(Cc3cccc(NC(=O)NC(C)C)c3)C2=O)cc1 | 10.1021/jm990044m | ||
CHEMBL330574 | 112287 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 515 | 7 | 4 | 4 | 4.9 | COc1ccc(NC(=O)NC2CCc3ccccc3N(Cc3cccc(NC(=O)NC(C)C)c3)C2=O)cc1 | 10.1021/jm990044m | ||
10696766 | 167466 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 501 | 6 | 5 | 4 | 4.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(O)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL432188 | 167466 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 501 | 6 | 5 | 4 | 4.6 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(O)cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
10838641 | 204524 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 486 | 6 | 4 | 4 | 4.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccncc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL86775 | 204524 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 486 | 6 | 4 | 4 | 4.3 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccncc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL271525 | 97280 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 574 | 10 | 3 | 7 | 5.6 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
73349568 | 102092 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 828 | 24 | 11 | 8 | -0.3 | NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440902 | 102092 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 828 | 24 | 11 | 8 | -0.3 | NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040743 | 102092 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 828 | 24 | 11 | 8 | -0.3 | NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
10554007 | 168369 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 521 | 6 | 4 | 3 | 5.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3cc(F)cc(F)c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL438777 | 168369 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 521 | 6 | 4 | 3 | 5.2 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3cc(F)cc(F)c3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
44351120 | 168245 | 0 | None | -16 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
91929372 | 168245 | 0 | None | -16 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
CHEMBL437671 | 168245 | 0 | None | -16 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||
21188674 | 34097 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 11 | 1 | 5 | 5.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(N)=O)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
CHEMBL142720 | 34097 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 11 | 1 | 5 | 5.3 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(N)=O)CC1 | 10.1016/s0960-894x(98)00048-1 | ||
10673787 | 106463 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 530 | 7 | 4 | 5 | 4.8 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
CHEMBL314926 | 106463 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 530 | 7 | 4 | 5 | 4.8 | CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCc3ccccc32)c1 | 10.1021/jm990044m | ||
44362839 | 33585 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 318 | 5 | 1 | 4 | 3.0 | CN(C)C1CCN(CCc2c(CO)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL142292 | 33585 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 318 | 5 | 1 | 4 | 3.0 | CN(C)C1CCN(CCc2c(CO)sc3ccccc23)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL341329 | 117971 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 574 | 10 | 3 | 7 | 5.9 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
45271828 | 193588 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 516 | 7 | 1 | 6 | 5.5 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4nnco4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
CHEMBL551132 | 193588 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 516 | 7 | 1 | 6 | 5.5 | COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4nnco4)CC3)C(C)(C)C2)cc1 | 10.1016/j.bmcl.2009.06.050 | ||
72205669 | 102093 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 686 | 20 | 10 | 6 | 1.7 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)NCCN)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440918 | 102093 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 686 | 20 | 10 | 6 | 1.7 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)NCCN)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040749 | 102093 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 686 | 20 | 10 | 6 | 1.7 | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)NCCN)cc1 | 10.1016/j.bmc.2013.08.065 | ||
19426755 | 101470 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 363 | 3 | 1 | 6 | 3.2 | Nc1cc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL301150 | 101470 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 363 | 3 | 1 | 6 | 3.2 | Nc1cc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL3349022 | 209658 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | ||||
CHEMBL420514 | 163171 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 566 | 9 | 3 | 7 | 5.9 | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(C3CCCCC3)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
72205291 | 102089 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 615 | 17 | 7 | 5 | 3.2 | NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2440934 | 102089 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 615 | 17 | 7 | 5 | 3.2 | NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL3040736 | 102089 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 615 | 17 | 7 | 5 | 3.2 | NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | ||
CHEMBL2371911 | 208406 | 0 | None | -29 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | ||||
10743445 | 110943 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 483 | 6 | 4 | 3 | 4.6 | O=C(Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1)NC1CC1 | 10.1021/jm990044m | ||
CHEMBL327410 | 110943 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 483 | 6 | 4 | 3 | 4.6 | O=C(Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3)CCc3ccccc32)c1)NC1CC1 | 10.1021/jm990044m | ||
11798404 | 16158 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 5.9 | Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(N3CCCCC3)CC2)c2ccccc21 | 10.1021/jm970512x | ||
CHEMBL122841 | 16158 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 5.9 | Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(N3CCCCC3)CC2)c2ccccc21 | 10.1021/jm970512x | ||
19426760 | 101218 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 3 | 1 | 6 | 3.2 | Nc1cc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL299384 | 101218 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 363 | 3 | 1 | 6 | 3.2 | Nc1cc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c2cccnc12 | 10.1016/0960-894X(96)00319-8 | ||
CHEMBL410780 | 211093 | 0 | None | 6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | ||||
85472343 | 171736 | 0 | None | -151 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
CHEMBL4475071 | 171736 | 0 | None | -151 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
10791009 | 205122 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.7 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCNCC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL90574 | 205122 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.7 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCNCC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL441204 | 212137 | 0 | None | 10 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | ||||
46879824 | 6241 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 478 | 6 | 2 | 6 | 7.3 | Clc1ccccc1C1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
CHEMBL1081890 | 6241 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 478 | 6 | 2 | 6 | 7.3 | Clc1ccccc1C1CCSC(Nc2ccc(CCNc3nc4ccccc4s3)cc2)=N1 | 10.1016/j.bmcl.2009.09.048 | ||
54582350 | 62840 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1056 | 26 | 6 | 8 | 7.9 | Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774219 | 62840 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1056 | 26 | 6 | 8 | 7.9 | Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789821 | 62840 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1056 | 26 | 6 | 8 | 7.9 | Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL127962 | 18635 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 589 | 10 | 3 | 8 | 5.1 | CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3C)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
CHEMBL427966 | 211649 | 0 | None | -25 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | ||||
54586208 | 62832 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 965 | 25 | 5 | 8 | 6.5 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCOCCOCCOCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1774213 | 62832 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 965 | 25 | 5 | 8 | 6.5 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCOCCOCCOCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
CHEMBL1789790 | 62832 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 965 | 25 | 5 | 8 | 6.5 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCOCCOCCOCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2011.03.045 | ||
10625562 | 111824 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 7 | 1 | 4 | 5.4 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCCNC1 | 10.1021/jm9706630 | ||
CHEMBL329224 | 111824 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 7 | 1 | 4 | 5.4 | Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCCNC1 | 10.1021/jm9706630 | ||
10554658 | 15327 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 548 | 9 | 0 | 5 | 6.8 | Clc1ccc(OCc2c(CN3CCC(N4CCCCC4)CC3)c3ccccc3n2CCN2CCCCC2)cc1 | 10.1021/jm970512x | ||
CHEMBL121636 | 15327 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 548 | 9 | 0 | 5 | 6.8 | Clc1ccc(OCc2c(CN3CCC(N4CCCCC4)CC3)c3ccccc3n2CCN2CCCCC2)cc1 | 10.1021/jm970512x | ||
44362999 | 120433 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 434 | 9 | 0 | 4 | 5.8 | C=CCc1ccccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
CHEMBL356118 | 120433 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 434 | 9 | 0 | 4 | 5.8 | C=CCc1ccccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 | 10.1016/s0960-894x(99)00019-0 | ||
10601378 | 205124 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL90605 | 205124 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1 | 10.1021/jm9706630 | ||
CHEMBL339255 | 116580 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 633 | 13 | 3 | 9 | 5.6 | CCCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 | 10.1016/s0960-894x(01)00761-2 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | None | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | None | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | None | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | None | ||
1504 | 2767 | 7 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
1518 | 2767 | 7 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
1521 | 2767 | 7 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
24868177 | 2767 | 7 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
44288922 | 2767 | 7 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
77068007 | 2767 | 7 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
90479759 | 2767 | 7 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
CHEMBL438945 | 2767 | 7 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
1504 | 2767 | 7 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
1518 | 2767 | 7 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
1521 | 2767 | 7 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
24868177 | 2767 | 7 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
44288922 | 2767 | 7 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
77068007 | 2767 | 7 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
90479759 | 2767 | 7 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
CHEMBL438945 | 2767 | 7 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
164509830 | 214284 | 0 | [125I] - Peptide YY | -1 | 8 | Guinea pig | 10.3 | pKi | = | 10.3 | Binding | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | ||
None | 214285 | 0 | 125I-[Leu31,Pro34]PYY | -26 | 13 | Rat | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
164509830 | 214284 | 0 | [125I] - Peptide YY | -3 | 8 | Rat | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | ||
126455957 | 214283 | 0 | [125I] - Peptide YY | 1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | ||
164509830 | 214284 | 0 | 125I-PYY | -4 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | ||
164509830 | 214284 | 0 | 125I-PYY | -4 | 8 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | ||
None | 214288 | 0 | 125I-PYY | 15 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
126455957 | 214283 | 0 | 125I-PYY | 1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | ||
126455957 | 214283 | 0 | [125I] - Peptide YY | -1 | 5 | Rhesus macaque | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | ||
56841989 | 211672 | 4 | 125I-PYY | -1 | 7 | Mouse | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
CHEMBL4281479 | 211672 | 4 | 125I-PYY | -1 | 7 | Mouse | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
None | 214746 | 0 | [125I] - Peptide YY | 1 | 3 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 750 | 15 | 3 | 6 | 5.2 | CN(C)CC1CCC(CC1)CN=C(C2=CC=C(C=C2)CC(C(=O)N3CCCC3)NC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5)N | None | ||
1562 | 886 | 8 | 125I-[Leu31,Pro34]PYY | -2 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
5312114 | 886 | 8 | 125I-[Leu31,Pro34]PYY | -2 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
CHEMBL17645 | 886 | 8 | 125I-[Leu31,Pro34]PYY | -2 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
CHEMBL195380 | 886 | 8 | 125I-[Leu31,Pro34]PYY | -2 | 2 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
None | 214746 | 0 | [125I] - Peptide YY | -1 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 750 | 15 | 3 | 6 | 5.2 | CN(C)CC1CCC(CC1)CN=C(C2=CC=C(C=C2)CC(C(=O)N3CCCC3)NC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5)N | None | ||
202 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
60835 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
972 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
CHEMBL1175 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
DB00476 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
5656 | 201377 | 82 | UNDEFINED | -7 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
CHEMBL637 | 201377 | 82 | UNDEFINED | -7 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
54841 | 201437 | 51 | UNDEFINED | -1 | 28 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
CHEMBL641 | 201437 | 51 | UNDEFINED | -1 | 28 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
3075702 | 215594 | 0 | 125I-Peptide YY | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
44208932 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
CHEMBL381689 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
None | 214285 | 0 | 125I-PYY | -40738 | 13 | Mouse | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
None | 214285 | 0 | 3H-Propionyl-NPY | -20892 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
None | 214285 | 0 | [125I] - Peptide YY | -20892 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
56841989 | 211672 | 4 | 125I-PYY | 1 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
CHEMBL4281479 | 211672 | 4 | 125I-PYY | 1 | 7 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
None | 214286 | 0 | 125I-PYY | -34673 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
21129772 | 168857 | 3 | [125I] - Peptide YY | 1 | 9 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
CHEMBL44246 | 168857 | 3 | [125I] - Peptide YY | 1 | 9 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
21129772 | 168857 | 3 | [125I] - Peptide YY | -1 | 9 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
CHEMBL44246 | 168857 | 3 | [125I] - Peptide YY | -1 | 9 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
None | 214287 | 0 | 125I-PYY | -173780 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | ||
None | 214285 | 0 | [125I] - Peptide YY | -16595 | 13 | Rhesus macaque | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
21129772 | 168857 | 3 | [125I] - Peptide YY | -2 | 9 | Rhesus macaque | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
CHEMBL44246 | 168857 | 3 | [125I] - Peptide YY | -2 | 9 | Rhesus macaque | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
None | 214285 | 0 | 125I-PYY | -20892 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
21129772 | 168857 | 3 | [125I] - Peptide YY | -2 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
CHEMBL44246 | 168857 | 3 | [125I] - Peptide YY | -2 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
None | 214287 | 0 | 125I-[Leu31,Pro34]PYY | -33884 | 8 | Rat | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | ||
None | 214289 | 0 | 125I-PYY | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
1504 | 2767 | 7 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1518 | 2767 | 7 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1521 | 2767 | 7 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
24868177 | 2767 | 7 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
44288922 | 2767 | 7 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
77068007 | 2767 | 7 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
90479759 | 2767 | 7 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
CHEMBL438945 | 2767 | 7 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1485 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562541 | ||
1485 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 8886416 | ||
1485 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 9145427 | ||
3474 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562541 | ||
3474 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 8886416 | ||
3474 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 9145427 | ||
5311023 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562541 | ||
5311023 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 8886416 | ||
5311023 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 9145427 | ||
CHEMBL332347 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562541 | ||
CHEMBL332347 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 8886416 | ||
CHEMBL332347 | 624 | 27 | None | -1 | 4 | Rat | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 9145427 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562541 | ||
1485 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562543 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562541 | ||
3474 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562543 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562541 | ||
5311023 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562543 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562541 | ||
CHEMBL332347 | 624 | 27 | None | 1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 473 | 11 | 5 | 4 | 2.4 | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O | 7562543 | ||
1549 | 2844 | 0 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
155817422 | 2844 | 0 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1505 | 2837 | 0 | None | 4 | 4 | Rat | 10.0 | pKi | None | 10 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
CHEMBL441396 | 2837 | 0 | None | 4 | 4 | Rat | 10.0 | pKi | None | 10 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1527 | 2272 | 0 | None | 1 | 5 | Rat | 10.2 | pKi | None | 10.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1515 | 3004 | 0 | None | 1 | 6 | Rat | 10.2 | pKi | None | 10.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
CHEMBL269503 | 3004 | 0 | None | 1 | 6 | Rat | 10.2 | pKi | None | 10.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1545 | 2270 | 0 | None | 50 | 4 | Rat | 10.6 | pKi | None | 10.6 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1529 | 1821 | 0 | None | 1 | 5 | Rat | 10.9 | pKi | None | 10.9 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1513 | 2955 | 0 | None | -5011 | 6 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1517 | 3192 | 0 | None | -112 | 3 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1516 | 3191 | 0 | None | -39 | 5 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
57339564 | 3191 | 0 | None | -39 | 5 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
91898411 | 3191 | 0 | None | -39 | 5 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1510 | 2847 | 0 | None | -31 | 6 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
155817418 | 2847 | 0 | None | -31 | 6 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
16142730 | 2847 | 0 | None | -31 | 6 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1507 | 2839 | 0 | None | -12 | 7 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
44351001 | 2839 | 0 | None | -12 | 7 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
91929182 | 2839 | 0 | None | -12 | 7 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
CHEMBL265849 | 2839 | 0 | None | -12 | 7 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1511 | 2952 | 0 | None | -354 | 2 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1512 | 2953 | 0 | None | -630 | 6 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
1530 | 3607 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 750 | 15 | 3 | 6 | 5.2 | CN(C[C@@H]1CC[C@@H](CC1)C/N=C(/c1ccc(cc1)C[C@H](C(=O)N1CCCC1)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)cccc2)Cc1ccccc1)\N)C | 16097949 | ||
5312150 | 3607 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 750 | 15 | 3 | 6 | 5.2 | CN(C[C@@H]1CC[C@@H](CC1)C/N=C(/c1ccc(cc1)C[C@H](C(=O)N1CCCC1)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)cccc2)Cc1ccccc1)\N)C | 16097949 | ||
1505 | 2837 | 0 | None | -6 | 4 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 16097949 | ||||
CHEMBL441396 | 2837 | 0 | None | -6 | 4 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 16097949 |