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 | 3755 | 42 | 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 | 3755 | 42 | 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 | 3755 | 42 | 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 | 213397 | 6 | 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 | 213397 | 6 | 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 | 213378 | 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 | 213427 | 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 | 213441 | 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 | 213378 | 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 | 213427 | 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 | 213441 | 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 | 117042 | 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 | 117042 | 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 | 109075 | 5 | 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 | 109075 | 5 | 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 | 22081 | 12 | 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 | 22081 | 12 | 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 | 21002 | 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 | 21002 | 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 | 47700 | 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 | 47700 | 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 | 46560 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 317 | 6 | 2 | 3 | 2.8 | OC(CNC1Cc2ccccc2C1)COc1ccc(Cl)cc1 | nan | ||
| CHEMBL1538224 | 46560 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 317 | 6 | 2 | 3 | 2.8 | OC(CNC1Cc2ccccc2C1)COc1ccc(Cl)cc1 | nan | ||
| 3235884 | 51320 | 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 | 51320 | 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 | 109066 | 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 | 109066 | 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 | 19462 | 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 | 19462 | 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 | 213507 | 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 | 40442 | 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 | 40442 | 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 | 53605 | 6 | 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 | 53605 | 6 | 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 | 213507 | 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 | 22081 | 12 | 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 | 22081 | 12 | 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 | 22870 | 4 | 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 | 22870 | 4 | 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 | 211000 | 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 | 44497 | 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 | 44497 | 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 | 210128 | 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 | 210999 | 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 | 193396 | 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 | 193396 | 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 | 193396 | 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 | 43127 | 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 | 43127 | 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 | 213367 | 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 | 213490 | 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 | 49831 | 19 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 316 | 3 | 2 | 4 | 4.2 | Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21 | nan | ||
| CHEMBL1567983 | 49831 | 19 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 316 | 3 | 2 | 4 | 4.2 | Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21 | nan | ||
| 3911588 | 51522 | 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 | 51522 | 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 | 213367 | 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 | 213490 | 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 | 211000 | 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 | 112629 | 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 | 112629 | 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 | 112629 | 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 | 34785 | 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 | 34785 | 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 | 20694 | 11 | 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 | 20694 | 11 | 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 | 47364 | 72 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 311 | 2 | 2 | 2 | 4.8 | Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O | nan | ||
| CHEMBL1544847 | 47364 | 72 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 311 | 2 | 2 | 2 | 4.8 | Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O | nan | ||
| 2090677 | 28759 | 6 | 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 | 28759 | 6 | 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 | 48943 | 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 | 48943 | 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 | 46969 | 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 | 46969 | 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 | 34853 | 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 | 34853 | 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 | 46476 | 14 | 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 | 46476 | 14 | 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 | 213831 | 13 | 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 | 55822 | 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 | 55822 | 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 | 55822 | 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 | 24820 | 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 | 24820 | 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 | 24820 | 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 | 44306 | 17 | 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 | 44306 | 17 | 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 | 210997 | 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 | 210125 | 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 | 55129 | 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 | 55129 | 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 | 55129 | 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 | 19871 | 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 | 19871 | 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 | 30444 | 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 | 30444 | 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 | 33294 | 1 | 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 | 33294 | 1 | 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 | 38683 | 10 | 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 | 38683 | 10 | 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 | 36441 | 12 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 251 | 2 | 1 | 2 | 4.1 | CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 | nan | ||
| CHEMBL1447448 | 36441 | 12 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 251 | 2 | 1 | 2 | 4.1 | CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 | nan | ||
| 653127 | 55074 | 12 | None | 1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
| CHEMBL1366633 | 55074 | 12 | None | 1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
| CHEMBL1454903 | 55074 | 12 | None | 1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
| CHEMBL1616892 | 55074 | 12 | None | 1 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | ||
| CHEMBL4277676 | 213352 | 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 | 213383 | 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 | 213352 | 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 | 213383 | 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 | 72637 | 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 | 72637 | 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 | 23777 | 17 | 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 | 23777 | 17 | 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 | 47869 | 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 | 47869 | 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 | 2503 | 85 | None | -363 | 7 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 4171 | 2503 | 85 | None | -363 | 7 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 553 | 2503 | 85 | None | -363 | 7 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| CHEMBL13 | 2503 | 85 | None | -363 | 7 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| DB00264 | 2503 | 85 | None | -363 | 7 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 570353 | 43034 | 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 | 43034 | 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 | 210998 | 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 | 213831 | 13 | 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 | 32405 | 5 | 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 | 32405 | 5 | 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 | 47869 | 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 | 47869 | 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 | 21002 | 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 | 21002 | 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 | 44463 | 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 | 44463 | 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 | 28094 | 41 | 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 | 28094 | 41 | 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 | 32405 | 5 | 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 | 32405 | 5 | 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 | 50475 | 18 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 174 | 1 | 2 | 5 | 1.0 | N#Cc1c(Cl)nsc1NN | nan | ||
| CHEMBL1573719 | 50475 | 18 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 174 | 1 | 2 | 5 | 1.0 | N#Cc1c(Cl)nsc1NN | nan | ||
| 2185441 | 19798 | 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 | 19798 | 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 | 28352 | 7 | 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 | 28352 | 7 | 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 | 50345 | 15 | 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 | 50345 | 15 | 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 | 213350 | 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 | 213350 | 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 | 213376 | 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 | 213376 | 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 | 55069 | 8 | 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 | 55069 | 8 | 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 | 55069 | 8 | 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 | 47788 | 6 | 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 | 47788 | 6 | 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 | 107976 | 9 | 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 | 107976 | 9 | 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 | 55258 | 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 | 55258 | 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 | 55258 | 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 | 2503 | 85 | None | -363 | 7 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 4171 | 2503 | 85 | None | -363 | 7 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 553 | 2503 | 85 | None | -363 | 7 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| CHEMBL13 | 2503 | 85 | None | -363 | 7 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| DB00264 | 2503 | 85 | None | -363 | 7 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | ||
| 708088 | 21150 | 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 | 21150 | 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 | 187797 | 76 | None | -13 | 17 | 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 | 187797 | 76 | None | -13 | 17 | 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 | 39319 | 4 | 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 | 39319 | 4 | 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 | 183614 | 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 | 183614 | 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 | 183614 | 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 | 183713 | 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 | 183713 | 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 | 183713 | 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 | 183652 | 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 | 183652 | 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 | 183652 | 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 | 183747 | 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 | 183747 | 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 | 183747 | 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 | 183760 | 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 | 183760 | 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 | 183760 | 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 | 183605 | 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 | 183605 | 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 | 183605 | 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 | 183631 | 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 | 183631 | 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 | 183631 | 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 | 183643 | 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 | 183643 | 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 | 183643 | 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 | 183618 | 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 | 183618 | 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 | 183618 | 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 | 183675 | 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 | 183675 | 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 | 183675 | 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 | 183641 | 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 | 183641 | 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 | 183641 | 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 | 183724 | 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 | 183724 | 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 | 183724 | 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 | 183746 | 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 | 183746 | 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 | 183746 | 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 | 196647 | 9 | 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 | 196647 | 9 | 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 | 163081 | 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 | 163081 | 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 | 166509 | 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 | 166509 | 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 | 55503 | 7 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | ||
| CHEMBL1426022 | 55503 | 7 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | ||
| CHEMBL1620460 | 55503 | 7 | None | -2 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | ||
| 2942743 | 41779 | 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 | 41779 | 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 | 107962 | 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 | 107962 | 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 | 29560 | 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 | 29560 | 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 | 72887 | 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 | 72887 | 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 | 34242 | 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 | 34242 | 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 | 183728 | 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 | 183728 | 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 | 183728 | 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 | 100325 | 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 | 100325 | 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 | 168619 | 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 | 168619 | 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 | 25382 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 3.2 | CCSc1nc2ccc(OC)cc2cc1C#N | nan | ||
| CHEMBL1349920 | 25382 | 5 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 244 | 3 | 0 | 4 | 3.2 | CCSc1nc2ccc(OC)cc2cc1C#N | nan | ||
| 2948077 | 24462 | 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 | 24462 | 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 | 161732 | 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 | 161732 | 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 | 33834 | 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 | 33834 | 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 | 37515 | 9 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 254 | 4 | 1 | 4 | 2.8 | C=CCNc1nc(N2CCCC2)nc2ccccc12 | nan | ||
| CHEMBL1456185 | 37515 | 9 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 254 | 4 | 1 | 4 | 2.8 | C=CCNc1nc(N2CCCC2)nc2ccccc12 | nan | ||
| 44287938 | 100382 | 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 | 100382 | 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 | 213397 | 6 | 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 | 213397 | 6 | 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 | 155623 | 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 | 155623 | 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 | 29334 | 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 | 29334 | 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 | 46117 | 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 | 46117 | 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 | 53397 | 6 | 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 | 53397 | 6 | 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 | 196366 | 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 | 196366 | 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 | 19656 | 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 | 19656 | 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 | 26399 | 8 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 294 | 5 | 0 | 4 | 3.6 | CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1 | nan | ||
| CHEMBL1359694 | 26399 | 8 | None | -1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 294 | 5 | 0 | 4 | 3.6 | CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1 | nan | ||
| 854958 | 32548 | 9 | 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 | 32548 | 9 | 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 | 25584 | 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 | 25584 | 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 | 35537 | 7 | None | -1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 327 | 3 | 0 | 6 | 3.7 | Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
| CHEMBL1439255 | 35537 | 7 | None | -1 | 3 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 327 | 3 | 0 | 6 | 3.7 | Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | ||
| 667608 | 55068 | 10 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | ||
| CHEMBL1364371 | 55068 | 10 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | ||
| CHEMBL1616825 | 55068 | 10 | None | 1 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | ||
| 12004848 | 27047 | 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 | 27047 | 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 | 25764 | 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 | 25764 | 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 | 183649 | 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 | 183649 | 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 | 183649 | 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 | 155527 | 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 | 155527 | 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 | 30244 | 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 | 30244 | 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 | 61615 | 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 | 61615 | 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 | 196026 | 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 | 196026 | 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 | 196383 | 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 | 196383 | 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 | 55975 | 1 | 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 | 55975 | 1 | 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 | 55975 | 1 | 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 | 183690 | 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 | 183690 | 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 | 183690 | 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 | 196644 | 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 | 196644 | 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 | 42966 | 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 | 42966 | 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 | 48416 | 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 | 48416 | 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 | 169400 | 4 | 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 | 169400 | 4 | 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 | 47416 | 6 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 323 | 4 | 1 | 3 | 4.5 | CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1 | nan | ||
| CHEMBL1545205 | 47416 | 6 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 323 | 4 | 1 | 3 | 4.5 | CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1 | nan | ||
| 3849628 | 108380 | 14 | 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 | 108380 | 14 | 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 | 25442 | 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 | 25442 | 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 | 46626 | 14 | 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 | 46626 | 14 | 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 | 162463 | 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 | 162463 | 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 | 24423 | 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 | 24423 | 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 | 61616 | 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 | 61616 | 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 | 195240 | 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 | 195240 | 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 | 195596 | 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 | 195596 | 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 | 101276 | 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 | 101276 | 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 | 43820 | 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 | 43820 | 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 | 161033 | 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 | 161033 | 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 | 168715 | 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 | 168715 | 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 | 196085 | 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 | 196085 | 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 | 168772 | 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 | 168772 | 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 | 54301 | 8 | None | -2 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 470 | 9 | 1 | 9 | 4.1 | COc1ccccc1CN(Cc1cc2cc(C)ccc2nc1O)Cc1nnnn1Cc1ccco1 | nan | ||
| CHEMBL1608455 | 54301 | 8 | None | -2 | 3 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 470 | 9 | 1 | 9 | 4.1 | COc1ccccc1CN(Cc1cc2cc(C)ccc2nc1O)Cc1nnnn1Cc1ccco1 | nan | ||
| 44288137 | 168207 | 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 | 168207 | 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 | 195740 | 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 | 195740 | 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 | 109092 | 5 | 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 | 109092 | 5 | 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 | 21796 | 7 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 286 | 0 | 1 | 3 | 4.4 | Nc1c2c(nc3sc4c(c13)CCCC4)CCCCCC2 | nan | ||
| CHEMBL1319576 | 21796 | 7 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 286 | 0 | 1 | 3 | 4.4 | Nc1c2c(nc3sc4c(c13)CCCC4)CCCCCC2 | nan | ||
| 162651924 | 180331 | 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 | 180331 | 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 | 194859 | 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 | 194859 | 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 | 166337 | 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 | 166337 | 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 | 183636 | 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 | 183636 | 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 | 183636 | 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 | 162548 | 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 | 162548 | 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 | 49207 | 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 | 49207 | 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 | 28513 | 18 | 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 | 28513 | 18 | 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 | 197642 | 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 | 197642 | 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 | 20462 | 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 | 20462 | 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 | 54451 | 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 | 54451 | 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 | 21067 | 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 | 21067 | 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 | 55329 | 2 | 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 | 55329 | 2 | 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 | 55329 | 2 | 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 | 168624 | 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 | 168624 | 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 | 195062 | 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 | 195062 | 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 | 24844 | 12 | 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 | 24844 | 12 | 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 | 34483 | 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 | 34483 | 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 | 25818 | 12 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.6 | Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C | nan | ||
| CHEMBL1353428 | 25818 | 12 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.6 | Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C | nan | ||
| 162651402 | 180158 | 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 | 180158 | 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 | 31330 | 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 | 31330 | 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 | 196001 | 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 | 196001 | 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 | 21142 | 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 | 21142 | 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 | 42828 | 10 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 375 | 4 | 1 | 7 | 2.1 | O=c1c2ccccc2nc2c3ccccc3c(NCCN3CCOCC3)nn12 | nan | ||
| CHEMBL1502859 | 42828 | 10 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 375 | 4 | 1 | 7 | 2.1 | O=c1c2ccccc2nc2c3ccccc3c(NCCN3CCOCC3)nn12 | nan | ||
| 1249075 | 51205 | 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 | 51205 | 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 | 163091 | 26 | 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 | 163091 | 26 | 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 | 183627 | 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 | 183627 | 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 | 183627 | 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 | 45865 | 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 | 45865 | 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 | 166232 | 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 | 166232 | 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 | 33319 | 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 | 33319 | 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 | 39386 | 11 | 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 | 39386 | 11 | 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 | 42426 | 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 | 42426 | 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 | 108904 | 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 | 108904 | 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 | 38969 | 4 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 5.3 | Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl | nan | ||
| CHEMBL1468302 | 38969 | 4 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 5.3 | Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl | nan | ||
| 44288236 | 166866 | 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 | 166866 | 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 | 51821 | 17 | 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 | 51821 | 17 | 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 | 205490 | 76 | None | -18 | 37 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 205490 | 76 | None | -18 | 37 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 205490 | 76 | None | -18 | 37 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 1302588 | 55605 | 8 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | ||
| CHEMBL1457093 | 55605 | 8 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | ||
| CHEMBL1621407 | 55605 | 8 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | ||
| 2609912 | 48824 | 6 | 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 | 48824 | 6 | 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 | 183617 | 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 | 183617 | 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 | 183617 | 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 | 34344 | 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 | 34344 | 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 | 44821 | 15 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 3 | 0 | 3 | 5.8 | Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl | nan | ||
| CHEMBL1522356 | 44821 | 15 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 372 | 3 | 0 | 3 | 5.8 | Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl | nan | ||
| 1183477 | 21141 | 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 | 21141 | 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 | 108051 | 4 | 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 | 108051 | 4 | 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 | 55039 | 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 | 55039 | 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 | 55039 | 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 | 46533 | 21 | 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 | 46533 | 21 | 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 | 49868 | 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 | 49868 | 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 | 34763 | 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 | 34763 | 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 | 55093 | 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 | 55093 | 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 | 55093 | 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 | 40954 | 5 | 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 | 40954 | 5 | 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 | 33887 | 15 | 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 | 33887 | 15 | 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 | 34317 | 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 | 34317 | 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 | 37217 | 6 | 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 | 37217 | 6 | 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 | 41811 | 5 | 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 | 41811 | 5 | 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 | 34255 | 15 | 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 | 34255 | 15 | 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 | 100180 | 1 | 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 | 100180 | 1 | 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 | 55058 | 10 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | ||
| CHEMBL1310577 | 55058 | 10 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | ||
| CHEMBL1616775 | 55058 | 10 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | ||
| 876519 | 55559 | 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 | 55559 | 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 | 55559 | 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 | 23651 | 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 | 23651 | 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 | 28814 | 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 | 28814 | 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 | 30532 | 7 | 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 | 30532 | 7 | 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 | 107658 | 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 | 107658 | 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 | 22707 | 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 | 22707 | 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 | 23805 | 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 | 23805 | 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 | 31930 | 18 | 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 | 31930 | 18 | 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 | 55475 | 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 | 55475 | 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 | 55475 | 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 | 36290 | 17 | 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 | 36290 | 17 | 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 | 50571 | 6 | 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 | 50571 | 6 | 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 | 54534 | 11 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 5.2 | Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1 | nan | ||
| CHEMBL1610409 | 54534 | 11 | None | 1 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 5.2 | Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1 | nan | ||
| 4525145 | 55608 | 5 | 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 | 55608 | 5 | 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 | 55608 | 5 | 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 | 55608 | 5 | 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 | 55608 | 5 | 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 | 61614 | 12 | 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 | 61614 | 12 | 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 | 183645 | 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 | 183645 | 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 | 183645 | 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 | 196415 | 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 | 196415 | 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 | 108743 | 8 | 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 | 108743 | 8 | 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 | 72468 | 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 | 72468 | 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 | 22862 | 6 | 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 | 22862 | 6 | 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 | 47505 | 16 | 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 | 47505 | 16 | 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 | 40213 | 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 | 40213 | 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 | 20608 | 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 | 20608 | 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 | 196698 | 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 | 196698 | 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 | 29677 | 11 | None | 2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 313 | 6 | 0 | 4 | 3.7 | CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 | nan | ||
| CHEMBL1386511 | 29677 | 11 | None | 2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 313 | 6 | 0 | 4 | 3.7 | CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 | nan | ||
| 2311088 | 55620 | 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 | 55620 | 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 | 55620 | 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 | 29331 | 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 | 29331 | 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 | 55619 | 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 | 55619 | 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 | 55619 | 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 | 20976 | 12 | None | -3 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 5.0 | Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 | nan | ||
| CHEMBL1311570 | 20976 | 12 | None | -3 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 5.0 | Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 | nan | ||
| 44287924 | 168463 | 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 | 168463 | 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 | 166128 | 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 | 166128 | 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 | 46679 | 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 | 46679 | 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 | 22934 | 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 | 22934 | 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 | 27200 | 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 | 27200 | 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 | 30117 | 13 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 5.2 | Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1 | nan | ||
| CHEMBL1389982 | 30117 | 13 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 311 | 1 | 1 | 2 | 5.2 | Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1 | nan | ||
| 8178372 | 53277 | 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 | 53277 | 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 | 24571 | 5 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 370 | 4 | 0 | 6 | 4.7 | COC(=O)c1cc2occc2n1Cc1nc(-c2ccccc2Cl)oc1C | nan | ||
| CHEMBL1342925 | 24571 | 5 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 370 | 4 | 0 | 6 | 4.7 | COC(=O)c1cc2occc2n1Cc1nc(-c2ccccc2Cl)oc1C | nan | ||
| 664816 | 35619 | 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 | 35619 | 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 | 50174 | 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 | 50174 | 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 | 38999 | 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 | 38999 | 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 | 96404 | 19 | 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 | 96404 | 19 | 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 | 161810 | 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 | 161810 | 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 | 141612 | 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 | 141612 | 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 | 181010 | 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 | 181010 | 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 | 109120 | 8 | 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 | 109120 | 8 | 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 | 55690 | 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 | 55690 | 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 | 55690 | 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 | 43403 | 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 | 43403 | 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 | 49243 | 12 | 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 | 49243 | 12 | 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 | 194349 | 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 | 194349 | 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 | 194349 | 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 | 55888 | 2 | 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 | 55888 | 2 | 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 | 55888 | 2 | 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 | 43635 | 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 | 43635 | 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 | 108252 | 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 | 108252 | 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 | 163418 | 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 | 163418 | 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 | 195935 | 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 | 195935 | 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 | 29779 | 16 | 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 | 29779 | 16 | 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 | 28662 | 17 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 338 | 6 | 0 | 6 | 4.0 | Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 | nan | ||
| CHEMBL1377743 | 28662 | 17 | None | 1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 338 | 6 | 0 | 6 | 4.0 | Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 | nan | ||
| 2169010 | 51849 | 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 | 51849 | 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 | 26484 | 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 | 26484 | 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 | 55541 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 339 | 9 | 0 | 3 | 4.9 | c1ccc(COc2ccc(OCCCCN3CCCCC3)cc2)cc1 | nan | ||
| CHEMBL1453832 | 55541 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 339 | 9 | 0 | 3 | 4.9 | c1ccc(COc2ccc(OCCCCN3CCCCC3)cc2)cc1 | nan | ||
| CHEMBL1620870 | 55541 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 339 | 9 | 0 | 3 | 4.9 | c1ccc(COc2ccc(OCCCCN3CCCCC3)cc2)cc1 | nan | ||
| 162661307 | 183683 | 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 | 183683 | 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 | 183683 | 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 | 45415 | 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 | 45415 | 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 | 53666 | 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 | 53666 | 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 | 200412 | 12 | 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 | 200412 | 12 | 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 | 112344 | 1 | 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 | 112344 | 1 | 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 | 67112 | 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 | 36836 | 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 | 36836 | 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 | 101737 | 6 | 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 | 101737 | 6 | 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 | 101737 | 6 | 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 | 67127 | 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 | 33943 | 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 | 33943 | 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 | 2289 | 0 | None | -70 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 8590988 | ||||
| 1504 | 2788 | 8 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 1518 | 2788 | 8 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 1521 | 2788 | 8 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 24868177 | 2788 | 8 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 44288922 | 2788 | 8 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 77068007 | 2788 | 8 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 90479759 | 2788 | 8 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| CHEMBL438945 | 2788 | 8 | None | -16 | 5 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 1528 | 627 | 22 | 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 | 627 | 22 | 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 | 627 | 22 | 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 | 335 | 0 | None | -158 | 5 | Human | 6.0 | pIC50 | None | 6 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
| 1508 | 2869 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
| 155817417 | 2869 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
| 1526 | 2292 | 0 | None | -14 | 5 | Rat | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
| CHEMBL438411 | 2292 | 0 | None | -14 | 5 | Rat | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
| 1514 | 3031 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
| 1514 | 3031 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 1545 | 2289 | 0 | None | -4 | 3 | Rat | 8.3 | pIC50 | None | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 1524 | 2290 | 0 | None | 1 | 2 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
| 1529 | 1838 | 0 | None | 1 | 2 | Rat | 9.5 | pIC50 | None | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 10694200 | ||||
| 1528 | 627 | 22 | 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 | 627 | 22 | 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 | 627 | 22 | 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 |
| 4212 | 198656 | 82 | None | - | 4 | Human | 6.0 | pAC50 | = | 6 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1417019 | 198656 | 82 | None | - | 4 | Human | 6.0 | pAC50 | = | 6 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL58 | 198656 | 82 | None | - | 4 | Human | 6.0 | pAC50 | = | 6 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | 10.1038/s41467-023-40064-9 | ||
| 72093 | 35031 | 9 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1433361 | 35031 | 9 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103773 | 35031 | 9 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| 4413 | 98045 | 57 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL273264 | 98045 | 57 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 347 | 4 | 5 | 4 | 2.6 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 135409453 | 3744 | 41 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 226 | 3744 | 41 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76370 | 3744 | 41 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 2335 | 11816 | 22 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 8478 | 11816 | 22 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1182210 | 11816 | 22 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL221753 | 11816 | 22 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 6436173 | 55086 | 45 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1617 | 55086 | 45 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 41684 | 31191 | 105 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1401 | 31191 | 105 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| 214 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 2740 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 5566 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 66064 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL422 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00831 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 5029 | 15513 | 92 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1219 | 15513 | 92 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | ||
| 1016 | 3720 | 78 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2561 | 3720 | 78 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2733526 | 3720 | 78 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5384 | 3720 | 78 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL83 | 3720 | 78 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00675 | 3720 | 78 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2713 | 205248 | 82 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5353524 | 205248 | 82 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5360566 | 205248 | 82 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 88536661 | 205248 | 82 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 9552079 | 205248 | 82 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1330113 | 205248 | 82 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL790 | 205248 | 82 | None | - | 0 | Human | 5.7 | pAC50 | = | 5.7 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 135398735 | 136943 | 32 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 136262914 | 136943 | 32 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL374478 | 136943 | 32 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 118422671 | 2737 | 65 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 1887 | 2737 | 65 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 71301 | 2737 | 65 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 7246 | 2737 | 65 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL434394 | 2737 | 65 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| DB04861 | 2737 | 65 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 100 | 3776 | 58 | None | - | 56 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 2637 | 3776 | 58 | None | - | 56 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 5452 | 3776 | 58 | None | - | 56 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL479 | 3776 | 58 | None | - | 56 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00679 | 3776 | 58 | None | - | 56 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 3883 | 183511 | 112 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL480 | 183511 | 112 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | 10.1038/s41467-023-40064-9 | ||
| 216416 | 111554 | 48 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL328190 | 111554 | 48 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2585 | 800 | 103 | None | - | 22 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 522 | 800 | 103 | None | - | 22 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 551 | 800 | 103 | None | - | 22 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL723 | 800 | 103 | None | - | 22 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| DB01136 | 800 | 103 | None | - | 22 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | ||
| 2600 | 3750 | 74 | None | - | 13 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2608 | 3750 | 74 | None | - | 13 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 5405 | 3750 | 74 | None | - | 13 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL17157 | 3750 | 74 | None | - | 13 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00342 | 3750 | 74 | None | - | 13 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2540 | 4369 | 111 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1014 | 4369 | 111 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 51755 | 57376 | 54 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1651990 | 57376 | 54 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 3149 | 12582 | 15 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1187011 | 12582 | 15 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2327 | 8810 | 41 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 257 | 5 | 7 | 7 | -1.8 | NC(CO)C(=O)NNCc1ccc(O)c(O)c1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1096979 | 8810 | 41 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 257 | 5 | 7 | 7 | -1.8 | NC(CO)C(=O)NNCc1ccc(O)c(O)c1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1255778 | 8810 | 41 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 257 | 5 | 7 | 7 | -1.8 | NC(CO)C(=O)NNCc1ccc(O)c(O)c1O | 10.1038/s41467-023-40064-9 | ||
| 5329102 | 194703 | 86 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL535 | 194703 | 86 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| 11980903 | 14460 | 19 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 22526 | 14460 | 19 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5281035 | 14460 | 19 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201303 | 14460 | 19 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 11626560 | 200914 | 94 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL601719 | 200914 | 94 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 2179 | 167494 | 76 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1256655 | 167494 | 76 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL43 | 167494 | 76 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | ||
| 2194 | 63053 | 101 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL178862 | 63053 | 101 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL5271459 | 193660 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 5168 | 150 | 68 | 75 | -11.8 | 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](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| CHEMBL5270985 | 193642 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 4731 | 140 | 64 | 66 | -12.1 | 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](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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](Cc1ccccc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| CHEMBL5277749 | 193922 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 5106 | 152 | 68 | 70 | -12.7 | 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](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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](Cc1ccccc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| CHEMBL5270985 | 193642 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 4731 | 140 | 64 | 66 | -12.1 | 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](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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](Cc1ccccc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| CHEMBL5271459 | 193660 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 5168 | 150 | 68 | 75 | -11.8 | 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](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| CHEMBL5277749 | 193922 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 5106 | 152 | 68 | 70 | -12.7 | 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](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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](Cc1ccccc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| CHEMBL5271764 | 193673 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 4251 | 131 | 62 | 59 | -16.1 | 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(C)=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.6b00043 | ||
| CHEMBL5271764 | 193673 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 4251 | 131 | 62 | 59 | -16.1 | 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(C)=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.6b00043 | ||
| CHEMBL5285523 | 194277 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 4254 | 127 | 60 | 57 | -13.6 | 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](Cc1ccccc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| CHEMBL5285523 | 194277 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 4254 | 127 | 60 | 57 | -13.6 | 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](Cc1ccccc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| CHEMBL5273099 | 193725 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 5916 | 174 | 76 | 83 | -12.8 | 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](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| CHEMBL5273099 | 193725 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 5916 | 174 | 76 | 83 | -12.8 | 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](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)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)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@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | ||
| 1515 | 3030 | 0 | None | - | 6 | Human | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | ||||
| CHEMBL269503 | 3030 | 0 | None | - | 6 | Human | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | ||||
| 10008757 | 188989 | 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 | 188989 | 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 | 188989 | 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 | 188989 | 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 | 188989 | 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 | 188989 | 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 | 2788 | 8 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 1518 | 2788 | 8 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 1521 | 2788 | 8 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 24868177 | 2788 | 8 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 44288922 | 2788 | 8 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 77068007 | 2788 | 8 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 90479759 | 2788 | 8 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| CHEMBL438945 | 2788 | 8 | None | -1 | 10 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | ||||
| 10030299 | 189191 | 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 | 189191 | 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 | 137035 | 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 | 137035 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137035 | 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 | 137035 | 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 | 189191 | 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 | 189191 | 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 | 188989 | 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 | 188989 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 197003 | 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 | 197003 | 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 | 161543 | 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 | 161543 | 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 | 2788 | 8 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 1518 | 2788 | 8 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 1521 | 2788 | 8 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 24868177 | 2788 | 8 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 44288922 | 2788 | 8 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 77068007 | 2788 | 8 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 90479759 | 2788 | 8 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| CHEMBL438945 | 2788 | 8 | None | -1 | 10 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 127041306 | 137035 | 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 | 137035 | 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 | 188989 | 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 | 188989 | 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 | 198985 | 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 | 198985 | 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 | 137035 | 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 | 137035 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 188989 | 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 | 188989 | 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 | 210702 | 17 | 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 | 210702 | 17 | 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 | 137106 | 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 | 137106 | 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 | 137106 | 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 | 198987 | 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 | 198987 | 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 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 1518 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 1521 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 24868177 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 44288922 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 77068007 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 90479759 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| CHEMBL438945 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | ||||
| 127041327 | 137106 | 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 | 137106 | 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 | 137106 | 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 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 1518 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 1521 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 24868177 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 44288922 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 77068007 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 90479759 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| CHEMBL438945 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 10030299 | 189191 | 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 | 189191 | 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 | 196857 | 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 | 196857 | 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 | 196860 | 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 | 196860 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137035 | 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 | 137035 | 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 | 137106 | 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 | 137106 | 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 | 137106 | 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 | 197002 | 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 | 197002 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 188989 | 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 | 188989 | 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 | 196859 | 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 | 196859 | 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 | 189191 | 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 | 189191 | 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 | 137035 | 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 | 137035 | 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 | 196897 | 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 | 196897 | 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 | 197096 | 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 | 197096 | 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 | 188989 | 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 | 188989 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137106 | 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 | 137106 | 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 | 137106 | 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 | 210702 | 17 | 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 | 210702 | 17 | 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 | 2788 | 8 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
| 1518 | 2788 | 8 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
| 1521 | 2788 | 8 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
| 24868177 | 2788 | 8 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
| 44288922 | 2788 | 8 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
| 77068007 | 2788 | 8 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
| 90479759 | 2788 | 8 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
| CHEMBL438945 | 2788 | 8 | None | -1 | 10 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/np900287e | ||||
| 10030299 | 189191 | 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 | 189191 | 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 | 188375 | 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 | 188375 | 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 | 137035 | 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 | 137035 | 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 | 197138 | 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 | 197138 | 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 | 137106 | 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 | 137106 | 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 | 137106 | 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 | 196976 | 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 | 196976 | 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 | 202656 | 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 | 202656 | 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 | 213552 | 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 | 197139 | 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 | 197139 | 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 | 196961 | 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 | 196961 | 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 | 67362 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 140654 | 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 | 140654 | 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 | 60315 | 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 | 60315 | 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 | 90495 | 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 | 90495 | 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 | 161204 | 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 | 161204 | 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 | 161204 | 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 | 161204 | 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 | 96759 | 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 | 96759 | 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 | 193103 | 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 | 193103 | 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 | 147330 | 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 | 147330 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 213853 | 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 | 101605 | 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 | 101605 | 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 | 16592 | 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 | 110484 | 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 | 75569 | 2 | 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 | 75569 | 2 | 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 | 57543 | 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 | 57543 | 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 | 91269 | 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 | 91269 | 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 | 167075 | 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 | 167075 | 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 | 167075 | 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 | 167075 | 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 | 210729 | 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 | 161656 | 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 | 161656 | 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 | 161656 | 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 | 161656 | 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 | 57153 | 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 | 57153 | 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 | 75574 | 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 | 75574 | 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 | 74999 | 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 | 74999 | 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 | 10107 | 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 | 168933 | 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 | 168933 | 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 | 168933 | 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 | 168933 | 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 | 90937 | 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 | 90937 | 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 | 67414 | 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 | 55548 | 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 | 55548 | 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 | 162463 | 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 | 162463 | 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 | 52705 | 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 | 52705 | 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 | 80462 | 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 | 80462 | 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 | 80462 | 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 | 80462 | 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 | 161273 | 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 | 161273 | 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 | 161273 | 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 | 139004 | 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 | 139004 | 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 | 210650 | 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 | 212818 | 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 | 82451 | 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 | 82451 | 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 | 82451 | 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 | 82451 | 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 | 186832 | 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 | 186832 | 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 | 161195 | 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 | 161195 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 141342 | 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 | 141342 | 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 | 101705 | 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 | 101705 | 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 | 193159 | 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 | 193159 | 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 | 75566 | 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 | 75566 | 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 | 161810 | 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 | 161810 | 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 | 57421 | 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 | 57421 | 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 | 10491 | 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 | 75568 | 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 | 75568 | 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 | 55549 | 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 | 55549 | 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 | 212848 | 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 | 163418 | 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 | 163418 | 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 | 150730 | 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 | 150730 | 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 | 140972 | 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 | 140972 | 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 | 91193 | 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 | 91193 | 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 | 166142 | 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 | 166142 | 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 | 197178 | 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 | 197178 | 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 | 100180 | 1 | 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 | 100180 | 1 | 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 | 75564 | 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 | 75564 | 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 | 58052 | 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 | 58052 | 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 | 146903 | 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 | 146903 | 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 | 91247 | 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 | 91247 | 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 | 67112 | 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 | 67264 | 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 | 127550 | 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 | 127550 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 2788 | 8 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 1518 | 2788 | 8 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 1521 | 2788 | 8 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 24868177 | 2788 | 8 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 44288922 | 2788 | 8 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 77068007 | 2788 | 8 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 90479759 | 2788 | 8 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| CHEMBL438945 | 2788 | 8 | None | -1 | 10 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 1526 | 2292 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | ||||
| CHEMBL438411 | 2292 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000052z | ||||
| 10008757 | 188989 | 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 | 188989 | 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 | 187105 | 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 | 187105 | 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 | 198700 | 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 | 198700 | 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 | 141180 | 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 | 141180 | 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 | 75573 | 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 | 75573 | 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 | 120087 | 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 | 120087 | 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 | 100382 | 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 | 100382 | 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 | 168009 | 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 | 212930 | 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 | 188058 | 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 | 188058 | 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 | 169595 | 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 | 169595 | 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 | 175878 | 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 | 175878 | 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 | 139460 | 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 | 139460 | 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 | 166232 | 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 | 166232 | 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 | 67191 | 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 | 212995 | 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 | 169200 | 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 | 169200 | 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 | 213593 | 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 | 210726 | 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 | 167034 | 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 | 167034 | 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 | 90994 | 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 | 90994 | 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 | 9811 | 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 | 212541 | 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 | 212965 | 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 | 90264 | 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 | 90264 | 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 | 67165 | 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 | 57165 | 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 | 57165 | 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 | 91050 | 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 | 91050 | 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 | 187547 | 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 | 187547 | 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 | 120133 | 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 | 120133 | 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 | 67078 | 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 | 67197 | 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 | 67464 | 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 | 210702 | 17 | 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 | 210702 | 17 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 186746 | 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 | 186746 | 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 | 75575 | 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 | 75575 | 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 | 67100 | 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 | 186827 | 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 | 186827 | 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 | 165804 | 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 | 165804 | 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 | 76731 | 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 | 76731 | 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 | 75540 | 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 | 75540 | 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 | 184352 | 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 | 184352 | 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 | 210652 | 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 | 57412 | 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 | 57412 | 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 | 170965 | 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 | 170965 | 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 | 140301 | 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 | 140301 | 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 | 74998 | 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 | 74998 | 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 | 213110 | 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 | 67485 | 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 | 201866 | 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 | 201866 | 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 | 212828 | 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 | 67099 | 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 | 67127 | 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 | 67322 | 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 | 67322 | 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 | 123144 | 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 | 110400 | 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 | 137106 | 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 | 137106 | 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 | 137106 | 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 | 196960 | 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 | 196960 | 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 | 192517 | 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 | 192517 | 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 | 79466 | 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 | 79466 | 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 | 701 | 41 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 16133800 | 701 | 41 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 16201612 | 701 | 41 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 616 | 701 | 41 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 91898967 | 701 | 41 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| CHEMBL437027 | 701 | 41 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| DB11724 | 701 | 41 | None | - | 5 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.11.110 | ||||
| 72714999 | 90995 | 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 | 90995 | 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 | 90997 | 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 | 90997 | 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 | 168864 | 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 | 168864 | 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 | 113294 | 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 | 140885 | 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 | 140885 | 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 | 90998 | 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 | 90998 | 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 | 213154 | 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 | 210510 | 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 | 75565 | 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 | 75565 | 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 | 90536 | 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 | 90536 | 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 | 209195 | 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 | 213330 | 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 | 169017 | 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 | 169017 | 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 | 170173 | 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 | 170173 | 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 | 123643 | 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 | 125019 | 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 | 198924 | 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 | 198924 | 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 | 9793 | 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 | 189348 | 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 | 189348 | 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 | 169400 | 4 | 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 | 169400 | 4 | 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 | 91048 | 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 | 91048 | 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 | 154372 | 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 | 154372 | 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 | 91000 | 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 | 91000 | 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 | 91504 | 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 | 91504 | 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 | 147140 | 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 | 147140 | 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 | 162548 | 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 | 162548 | 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 | 90996 | 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 | 90996 | 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 | 164978 | 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 | 164978 | 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 | 75567 | 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 | 75567 | 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 | 10347 | 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 | 122574 | 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 | 189357 | 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 | 189357 | 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 | 63735 | 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 | 63735 | 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 | 91001 | 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 | 91001 | 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 | 75572 | 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 | 75572 | 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 | 189514 | 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 | 189514 | 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 | 76711 | 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 | 76711 | 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 | 166337 | 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 | 166337 | 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 | 213307 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 197093 | 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 | 197093 | 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 | 184598 | 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 | 184598 | 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 | 76512 | 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 | 76512 | 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 | 166696 | 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 | 166696 | 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 | 166696 | 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 | 166696 | 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 | 209485 | 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 | 213413 | 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 | 213791 | 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 | 213054 | 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 | 169330 | 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 | 169330 | 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 | 169330 | 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 | 169330 | 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 | 76719 | 1 | 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 | 76719 | 1 | 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 | 90268 | 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 | 90268 | 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 | 189191 | 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 | 189191 | 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 | 196931 | 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 | 196931 | 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 | 67098 | 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 | 122552 | 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 | 188989 | 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 | 188989 | 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 | 163124 | 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 | 163124 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 209485 | 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 | 60301 | 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 | 60301 | 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 | 154838 | 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 | 154838 | 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 | 896 | 13 | 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 | 896 | 13 | 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 | 896 | 13 | 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 | 896 | 13 | 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 | 56470 | 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 | 56470 | 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 | 90529 | 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 | 90529 | 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 | 213519 | 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 | 60324 | 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 | 60324 | 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 | 90999 | 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 | 90999 | 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 | 209486 | 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 | 75932 | 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 | 75932 | 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 | 96870 | 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 | 90486 | 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 | 90486 | 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 | 120039 | 3 | 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 | 120039 | 3 | 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 | 120039 | 3 | 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 | 120039 | 3 | 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 | 75383 | 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 | 75383 | 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 | 91049 | 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 | 91049 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 161904 | 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 | 161904 | 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 | 161904 | 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 | 211718 | 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 | 136976 | 1 | 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 | 136976 | 1 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 63123 | 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 | 63123 | 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 | 63123 | 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 | 212725 | 2 | 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 | 183614 | 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 | 183614 | 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 | 183614 | 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 | 188989 | 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 | 188989 | 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 | 119889 | 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 | 119889 | 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 | 183747 | 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 | 183747 | 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 | 183747 | 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 | 183610 | 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 | 183610 | 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 | 183610 | 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 | 188989 | 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 | 188989 | 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 | 189191 | 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 | 189191 | 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 | 183676 | 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 | 183676 | 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 | 183676 | 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 | 183605 | 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 | 183605 | 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 | 183605 | 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 | 209190 | 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 | 183631 | 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 | 183631 | 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 | 183631 | 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 | 183637 | 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 | 183637 | 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 | 183637 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 2788 | 8 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 1518 | 2788 | 8 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 1521 | 2788 | 8 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 24868177 | 2788 | 8 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 44288922 | 2788 | 8 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 77068007 | 2788 | 8 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 90479759 | 2788 | 8 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| CHEMBL438945 | 2788 | 8 | None | -1 | 10 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | ||||
| 10008757 | 188989 | 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 | 188989 | 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 | 189191 | 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 | 189191 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 48672 | 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 | 48672 | 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 | 119723 | 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 | 119723 | 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 | 183643 | 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 | 183643 | 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 | 183643 | 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 | 188989 | 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 | 188989 | 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 | 210702 | 17 | 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 | 210702 | 17 | 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 | 213397 | 6 | 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 | 213397 | 6 | 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 | 183713 | 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 | 183713 | 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 | 183713 | 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 | 213397 | 6 | 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 | 213397 | 6 | 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 | 169033 | 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 | 169033 | 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 | 183760 | 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 | 183760 | 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 | 183760 | 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 | 189191 | 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 | 189191 | 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 | 119566 | 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 | 119566 | 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 | 119487 | 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 | 119487 | 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 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 1518 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 1521 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 24868177 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 44288922 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 77068007 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 90479759 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| CHEMBL438945 | 2788 | 8 | None | -1 | 10 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.01.025 | ||||
| 10008757 | 188989 | 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 | 188989 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 183641 | 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 | 183641 | 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 | 183641 | 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 | 189191 | 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 | 189191 | 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 | 213427 | 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 | 627 | 22 | 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 | 627 | 22 | 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 | 627 | 22 | 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 | 213427 | 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 | 170834 | 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 | 170834 | 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 | 212842 | 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 | 172338 | 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 | 172338 | 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 | 188989 | 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 | 188989 | 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 | 48976 | 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 | 48976 | 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 | 119759 | 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 | 119759 | 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 | 189191 | 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 | 189191 | 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 | 137035 | 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 | 137035 | 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 | 188989 | 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 | 188989 | 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 | 183652 | 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 | 183652 | 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 | 183652 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 137108 | 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 | 120068 | 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 | 120068 | 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 | 137106 | 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 | 137106 | 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 | 137106 | 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 | 119565 | 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 | 119565 | 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 | 170186 | 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 | 170186 | 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 | 183746 | 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 | 183746 | 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 | 183746 | 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 | 119758 | 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 | 119758 | 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 | 213378 | 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 | 213378 | 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 | 189191 | 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 | 189191 | 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 | 213552 | 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 | 213552 | 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 | 188989 | 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 | 188989 | 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 | 159458 | 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 | 159458 | 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 | 159458 | 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 | 137035 | 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 | 137035 | 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 | 2788 | 8 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 1518 | 2788 | 8 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 1521 | 2788 | 8 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 24868177 | 2788 | 8 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 44288922 | 2788 | 8 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 77068007 | 2788 | 8 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 90479759 | 2788 | 8 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| CHEMBL438945 | 2788 | 8 | None | -1 | 10 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 91928728 | 210702 | 17 | 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 | 210702 | 17 | 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 | 213514 | 15 | 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 | 137106 | 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 | 137106 | 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 | 137106 | 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 | 173015 | 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 | 173015 | 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 | 213552 | 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 | 183724 | 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 | 183724 | 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 | 183724 | 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 | 213552 | 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 | 168338 | 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 | 168338 | 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 | 50767 | 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 | 50767 | 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 | 112344 | 1 | 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 | 112344 | 1 | 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 | 112344 | 1 | 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 | 112344 | 1 | 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 | 213441 | 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 | 213441 | 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 | 52523 | 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 | 52523 | 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 | 211381 | 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 | 16116 | 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 | 16116 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 61614 | 12 | 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 | 61614 | 12 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 209190 | 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 | 183675 | 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 | 183675 | 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 | 183675 | 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 | 183618 | 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 | 183618 | 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 | 183618 | 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 | 211381 | 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 | 178931 | 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 | 178931 | 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 | 178931 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 113442 | 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 | 113442 | 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 | 211381 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 211381 | 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 | 51633 | 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 | 51633 | 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 | 48823 | 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 | 48823 | 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 | 119722 | 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 | 119722 | 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 | 202656 | 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 | 202656 | 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 | 202656 | 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 | 202656 | 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 | 211381 | 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 | 211381 | 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 | 117945 | 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 | 117945 | 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 | 195790 | 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 | 195790 | 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 | 17532 | 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 | 141342 | 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 | 141342 | 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 | 63126 | 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 | 63126 | 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 | 63126 | 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 | 63126 | 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 | 206351 | 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 | 206351 | 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 | 213353 | 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 | 102536 | 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 | 102536 | 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 | 102536 | 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 | 213391 | 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 | 213414 | 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 | 213473 | 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 | 183684 | 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 | 183684 | 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 | 183684 | 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 | 116858 | 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 | 5454 | 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 | 5454 | 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 | 6247 | 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 | 6247 | 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 | 16716 | 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 | 119409 | 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 | 119409 | 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 | 121255 | 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 | 121255 | 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 | 119359 | 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 | 119359 | 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 | 16117 | 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 | 16117 | 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 | 210939 | 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 | 210939 | 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 | 196422 | 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 | 196422 | 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 | 34364 | 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 | 34364 | 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 | 5875 | 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 | 5875 | 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 | 101747 | 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 | 101747 | 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 | 71683 | 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 | 210761 | 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 | 194722 | 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 | 194722 | 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 | 179234 | 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 | 179234 | 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 | 16592 | 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 | 213445 | 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 | 175518 | 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 | 175518 | 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 | 34110 | 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 | 34110 | 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 | 165233 | 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 | 165233 | 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 | 210127 | 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 | 195301 | 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 | 195301 | 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 | 102522 | 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 | 102522 | 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 | 102522 | 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 | 206367 | 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 | 206367 | 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 | 121047 | 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 | 121047 | 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 | 206783 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 397 | 8 | 1 | 4 | 5.4 | Clc1ccc(OCc2nc3ccccc3n2CCCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL90369 | 206783 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 397 | 8 | 1 | 4 | 5.4 | Clc1ccc(OCc2nc3ccccc3n2CCCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
| 46879822 | 6246 | 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 | 6246 | 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 | 6035 | 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 | 6035 | 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 | 164886 | 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 | 164886 | 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 | 101545 | 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 | 101545 | 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 | 5928 | 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 | 5928 | 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 | 213460 | 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 | 213508 | 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 | 37073 | 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 | 37073 | 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 | 16432 | 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 | 16432 | 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 | 119202 | 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 | 119202 | 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 | 215784 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | ||||
| 11799055 | 207193 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.7 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL92685 | 207193 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.7 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
| 19426753 | 189756 | 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 | 189756 | 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 | 78284 | 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 | 78284 | 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 | 189668 | 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 | 189668 | 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 | 36685 | 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 | 36685 | 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 | 213445 | 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 | 63141 | 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 | 63141 | 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 | 63141 | 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 | 112313 | 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 | 112313 | 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 | 63092 | 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 | 63092 | 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 | 63092 | 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 | 63116 | 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 | 63116 | 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 | 63116 | 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 | 16124 | 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 | 16124 | 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 | 102523 | 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 | 102523 | 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 | 102523 | 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 | 209877 | 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 | 213460 | 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 | 213508 | 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 | 37312 | 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 | 37312 | 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 | 211383 | 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 | 102524 | 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 | 102524 | 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 | 102524 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 33943 | 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 | 33943 | 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 | 210126 | 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 | 210127 | 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 | 63131 | 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 | 63131 | 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 | 63131 | 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 | 206512 | 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 | 206512 | 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 | 206560 | 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 | 206560 | 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 | 175626 | 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 | 175626 | 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 | 106707 | 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 | 106707 | 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 | 61618 | 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 | 61618 | 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 | 209189 | 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 | 191045 | 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 | 191045 | 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 | 36836 | 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 | 36836 | 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 | 211381 | 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 | 196258 | 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 | 196258 | 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 | 75570 | 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 | 75570 | 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 | 112543 | 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 | 112543 | 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 | 195452 | 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 | 195452 | 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 | 63130 | 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 | 63130 | 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 | 63130 | 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 | 206822 | 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 | 206822 | 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 | 16111 | 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 | 16111 | 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 | 111600 | 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 | 111600 | 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 | 6254 | 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 | 6254 | 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 | 213507 | 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 | 213420 | 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 | 207310 | 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 | 207310 | 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 | 210702 | 17 | 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 | 210702 | 17 | 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 | 35916 | 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 | 35916 | 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 | 211381 | 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 | 213507 | 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 | 196677 | 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 | 196677 | 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 | 206494 | 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 | 206494 | 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 | 210673 | 0 | None | -51 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
| CHEMBL4283846 | 213420 | 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 | 173602 | 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 | 173602 | 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 | 101737 | 6 | 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 | 101737 | 6 | 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 | 101737 | 6 | 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 | 38098 | 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 | 38098 | 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 | 5874 | 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 | 5874 | 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 | 106521 | 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 | 106521 | 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 | 206167 | 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 | 206167 | 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 | 206854 | 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 | 206854 | 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 | 37388 | 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 | 37388 | 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 | 121956 | 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 | 121956 | 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 | 79467 | 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 | 79467 | 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 | 36858 | 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 | 36858 | 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 | 5930 | 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 | 5930 | 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 | 194778 | 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 | 194778 | 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 | 196166 | 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 | 196166 | 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 | 112530 | 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 | 112530 | 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 | 168077 | 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 | 168077 | 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 | 207289 | 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 | 207289 | 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 | 158966 | 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 | 158966 | 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 | 158966 | 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 | 67619 | 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 | 67619 | 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 | 118125 | 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 | 211381 | 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 | 61937 | 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 | 61937 | 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 | 119198 | 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 | 119198 | 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 | 34713 | 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 | 34713 | 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 | 5986 | 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 | 5986 | 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 | 213418 | 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 | 213407 | 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 | 210702 | 17 | 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 | 210702 | 17 | 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 | 211381 | 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 | 202656 | 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 | 202656 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 2861 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
| CHEMBL441396 | 2861 | 0 | None | -6 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
| 44283143 | 161674 | 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 | 161674 | 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 | 161674 | 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 | 175293 | 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 | 175293 | 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 | 18032 | 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 | 213714 | 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 | 111573 | 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 | 111573 | 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 | 213418 | 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 | 102520 | 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 | 102520 | 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 | 102520 | 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 | 210941 | 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 | 210941 | 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 | 206548 | 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 | 206548 | 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 | 213407 | 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 | 37258 | 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 | 37258 | 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 | ||
| CHEMBL5282574 | 194137 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 628 | 12 | 3 | 11 | 3.9 | COC(=O)C1=CNC(C)=C(C(=O)OC)C1c1cccc(Nc2c(NCCCN3CCC(c4cccc(OC)c4)CC3)c(=O)c2=O)c1 | 10.1039/D1MD00058F | ||
| 9908496 | 61611 | 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 | 61611 | 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 | 213831 | 13 | 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 | 211381 | 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 | 213379 | 17 | 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 | 213379 | 17 | 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 | 196342 | 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 | 196342 | 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 | 210948 | 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 | 210948 | 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 | 212944 | 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 | 106527 | 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 | 106527 | 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 | 183627 | 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 | 183627 | 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 | 183627 | 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 | 119384 | 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 | 119384 | 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 | 61620 | 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 | 61620 | 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 | 194859 | 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 | 194859 | 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 | 63124 | 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 | 63124 | 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 | 63124 | 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 | 63124 | 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 | 63124 | 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 | 63124 | 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 | 137107 | 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 | 137107 | 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 | 137107 | 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 | 169188 | 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 | 169188 | 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 | 169188 | 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 | 212715 | 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 | 209869 | 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 | 6322 | 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 | 6322 | 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 | 63125 | 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 | 63125 | 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 | 63125 | 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 | 210947 | 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 | 210947 | 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 | 210948 | 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 | 210948 | 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 | 209878 | 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 | 37072 | 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 | 37072 | 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 | 61609 | 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 | 61609 | 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 | 164555 | 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 | 164555 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 164555 | 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 | 164555 | 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 | 194702 | 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 | 194702 | 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 | 189183 | 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 | 189183 | 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 | 59444 | 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 | 59444 | 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 | 63087 | 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 | 63087 | 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 | 63087 | 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 | 210946 | 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 | 210946 | 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 | 205969 | 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 | 205969 | 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 | 210569 | 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 | 105993 | 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 | 105993 | 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 | 37122 | 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 | 37122 | 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 | 118743 | 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 | 118743 | 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 | 6200 | 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 | 6200 | 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 | 210949 | 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 | 210949 | 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 | 206255 | 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 | 206255 | 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 | 171786 | 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 | 171786 | 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 | 213784 | 16 | 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 | 213472 | 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 | 213474 | 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 | 213472 | 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 | 213474 | 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 | 5980 | 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 | 5980 | 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 | 16729 | 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 | 16729 | 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 | 63123 | 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 | 63123 | 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 | 63123 | 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 | 63123 | 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 | 63123 | 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 | 63123 | 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 | 106976 | 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 | 106976 | 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 | 211385 | 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 | 120998 | 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 | 120998 | 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 | 16118 | 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 | 16118 | 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 | 210947 | 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 | 210947 | 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 | 165035 | 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 | 165035 | 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 | 168964 | 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 | 168964 | 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 | 168964 | 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 | 195338 | 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 | 195338 | 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 | 189624 | 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 | 189624 | 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 | 111610 | 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 | 111610 | 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 | 16113 | 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 | 16113 | 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 | 215782 | 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 | 164887 | 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 | 164887 | 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 | 106858 | 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 | 106858 | 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 | 38703 | 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 | 38703 | 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 | 210460 | 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 | 194547 | 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 | 194547 | 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 | 33289 | 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 | 33289 | 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 | 37669 | 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 | 37669 | 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 | 164723 | 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 | 164723 | 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 | 165291 | 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 | 165291 | 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 | 210451 | 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 | 61610 | 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 | 61610 | 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 | 195875 | 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 | 195875 | 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 | 63127 | 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 | 63127 | 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 | 63127 | 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 | 210938 | 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 | 210938 | 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 | 206811 | 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 | 206811 | 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 | 207191 | 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 | 207191 | 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 | 174239 | 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 | 174239 | 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 | 213083 | 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 | 183617 | 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 | 183617 | 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 | 183617 | 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 | 183690 | 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 | 183690 | 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 | 183690 | 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 | 189112 | 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 | 189112 | 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 | 61615 | 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 | 61615 | 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 | 16119 | 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 | 16119 | 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 | 215798 | 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 | 137104 | 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 | 137104 | 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 | 137104 | 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 | ||
| 9960164 | 75571 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 590 | 10 | 3 | 8 | 4.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 | 10.1039/D1MD00058F | ||
| CHEMBL2046866 | 75571 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 590 | 10 | 3 | 8 | 4.7 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 | 10.1039/D1MD00058F | ||
| CHEMBL324554 | 110400 | 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 | 61614 | 12 | 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 | 61614 | 12 | 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 | 213467 | 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 | 213070 | 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 | 5984 | 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 | 5984 | 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 | 210467 | 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 | 111611 | 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 | 111611 | 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 | 196201 | 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 | 196201 | 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 | 183683 | 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 | 183683 | 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 | 183683 | 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 | 102515 | 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 | 102515 | 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 | 102515 | 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 | 175232 | 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 | 175232 | 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 | 34645 | 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 | 34645 | 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 | 210944 | 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 | 210944 | 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 | 5465 | 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 | 5465 | 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 | 5952 | 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 | 5952 | 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 | 195245 | 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 | 195245 | 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 | 117782 | 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 | 112541 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.2 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCCN2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL330066 | 112541 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.2 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCCN2)cc1 | 10.1021/jm9706630 | ||
| 21336500 | 101647 | 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 | 101647 | 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 | 179072 | 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 | 179072 | 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 | 196068 | 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 | 196068 | 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 | 210936 | 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 | 210936 | 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 | 5954 | 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 | 5954 | 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 | 5987 | 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 | 5987 | 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 | 119291 | 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 | 119291 | 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 | 96831 | 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 | 96831 | 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 | 213753 | 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 | 5953 | 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 | 5953 | 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 | 5843 | 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 | 5843 | 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 | 191123 | 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 | 191123 | 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 | 213813 | 17 | 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 | 105940 | 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 | 105940 | 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 | 102543 | 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 | 102543 | 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 | 102543 | 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 | 139182 | 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 | 139182 | 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 | 139182 | 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 | 139182 | 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 | 119292 | 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 | 119292 | 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 | 5460 | 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 | 5460 | 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 | 118766 | 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 | 118766 | 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 | 210949 | 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 | 210949 | 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 | 16568 | 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 | 119328 | 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 | 119328 | 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 | 36841 | 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 | 36841 | 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 | 6253 | 1 | 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 | 6253 | 1 | 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 | 61612 | 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 | 61612 | 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 | 61939 | 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 | 61939 | 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 | 63089 | 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 | 63089 | 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 | 63089 | 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 | 121327 | 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 | 121327 | 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 | 168610 | 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 | 168610 | 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 | 183636 | 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 | 183636 | 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 | 183636 | 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 | 34147 | 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 | 34147 | 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 | 106881 | 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 | 106881 | 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 | 61621 | 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 | 61621 | 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 | 215780 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | ||||
| CHEMBL4278700 | 213367 | 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 | 213490 | 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 | 211381 | 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 | 210370 | 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 | 168964 | 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 | 168964 | 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 | 168964 | 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 | 213376 | 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 | 213370 | 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 | 213455 | 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 | 5844 | 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 | 5844 | 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 | 208647 | 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 | 213467 | 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 | 137102 | 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 | 137102 | 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 | 137102 | 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 | 107714 | 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 | 61938 | 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 | 61938 | 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 | 37610 | 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 | 37610 | 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 | 96869 | 27 | 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 | 96869 | 27 | 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 | 211384 | 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 | 37610 | 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 | 37610 | 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 | 137029 | 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 | 137029 | 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 | 178932 | 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 | 178932 | 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 | 15497 | 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 | 15497 | 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 | 169400 | 4 | 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 | 169400 | 4 | 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 | 213043 | 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 | 213367 | 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 | 213490 | 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 | 16115 | 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 | 16115 | 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 | 210940 | 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 | 210940 | 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 | 168964 | 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 | 168964 | 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 | 168964 | 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 | 213376 | 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 | 137020 | 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 | 137020 | 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 | 173165 | 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 | 173165 | 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 | 173165 | 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 | 112393 | 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 | 112393 | 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 | 37736 | 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 | 37736 | 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 | 213370 | 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 | 213455 | 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 | 16590 | 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 | 16121 | 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 | 16121 | 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 | 137105 | 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 | 137105 | 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 | 137105 | 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 | 102541 | 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 | 102541 | 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 | 102541 | 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 | 207100 | 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 | 207100 | 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 | 139181 | 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 | 139181 | 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 | 139181 | 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 | 212772 | 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 | 106855 | 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 | 106855 | 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 | 209481 | 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 | 196151 | 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 | 196151 | 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 | 63137 | 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 | 63137 | 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 | 63137 | 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 | 210937 | 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 | 210937 | 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 | 34093 | 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 | 34093 | 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 | 37591 | 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 | 37591 | 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 | 121072 | 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 | 121072 | 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 | 78876 | 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 | 78876 | 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 | 37562 | 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 | 37562 | 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 | 12649 | 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 | 12649 | 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 | 12649 | 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 | 12649 | 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 | 12649 | 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 | 194756 | 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 | 194756 | 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 | 206539 | 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 | 206539 | 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 | 207448 | 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 | 207448 | 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 | 210936 | 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 | 210936 | 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 | 210627 | 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 | 195083 | 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 | 195083 | 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 | 211381 | 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 | 113042 | 1 | 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 | 113042 | 1 | 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 | 210458 | 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 | 170965 | 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 | 170965 | 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 | 213970 | 19 | 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 | 213970 | 19 | 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 | 195354 | 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 | 195354 | 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 | 183649 | 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 | 183649 | 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 | 183649 | 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 | 32779 | 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 | 32779 | 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 | 37629 | 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 | 37629 | 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 | 106877 | 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 | 106877 | 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 | 37249 | 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 | 37249 | 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 | 198445 | 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 | 198445 | 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 | 198445 | 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 | 185252 | 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 | 185252 | 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 | 213753 | 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 | 16112 | 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 | 16112 | 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 | 2863 | 0 | None | -346 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
| 44351001 | 2863 | 0 | None | -346 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
| 91929182 | 2863 | 0 | None | -346 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
| CHEMBL265849 | 2863 | 0 | None | -346 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | ||||
| 46879876 | 6039 | 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 | 6039 | 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 | 195774 | 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 | 195774 | 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 | 112326 | 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 | 112326 | 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 | 165222 | 41 | 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 | 165222 | 41 | 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 | 195679 | 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 | 195679 | 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 | 210946 | 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 | 210946 | 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 | 6083 | 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 | 6083 | 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 | 101997 | 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 | 101997 | 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 | 211381 | 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 | 213477 | 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 | 12431 | 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 | 12431 | 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 | 12431 | 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 | 196127 | 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 | 196127 | 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 | 212372 | 10 | 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 | 61617 | 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 | 61617 | 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 | 61619 | 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 | 61619 | 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 | 215780 | 0 | None | -2 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | ||||
| CHEMBL5288617 | 194412 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 600 | 10 | 3 | 9 | 4.0 | COC(=O)C1=CNC(C)=C(C(=O)OC)C1c1cccc(N/C(=N/C#N)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 | 10.1039/D1MD00058F | ||
| 1485 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 206596 | 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 | 206596 | 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 | 213706 | 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 | 211381 | 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 | 211381 | 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 | 168222 | 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 | 168222 | 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 | 211381 | 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 | 210450 | 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 | 213345 | 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 | 5981 | 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 | 5981 | 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 | 63115 | 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 | 63115 | 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 | 63115 | 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 | 210938 | 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 | 210938 | 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 | 213345 | 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 | 213383 | 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 | 213390 | 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 | 213409 | 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 | 213482 | 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 | 213383 | 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 | 213390 | 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 | 213409 | 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 | 213482 | 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 | 16591 | 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 | 16125 | 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 | 16125 | 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 | 168222 | 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 | 168222 | 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 | 169393 | 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 | 169393 | 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 | 183645 | 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 | 183645 | 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 | 183645 | 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 | 5834 | 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 | 5834 | 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 | 116795 | 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 | 5892 | 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 | 5892 | 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 | 5982 | 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 | 5982 | 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 | 210945 | 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 | 210945 | 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 | 163784 | 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 | 163784 | 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 | 6040 | 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 | 6040 | 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 | 6245 | 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 | 6245 | 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 | 163627 | 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 | 163627 | 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 | 161967 | 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 | 161967 | 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 | 16433 | 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 | 16433 | 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 | 63091 | 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 | 63091 | 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 | 63091 | 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 | 63091 | 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 | 105907 | 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 | 105907 | 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 | 106926 | 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 | 106926 | 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 | 183728 | 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 | 183728 | 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 | 183728 | 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 | 121948 | 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 | 121948 | 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 | 119413 | 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 | 119413 | 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 | 193418 | 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 | 193418 | 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 | 12675 | 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 | 12675 | 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 | 12675 | 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 | 12675 | 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 | 37583 | 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 | 37583 | 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 | 16114 | 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 | 16114 | 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 | 5893 | 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 | 5893 | 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 | 189100 | 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 | 189100 | 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 | 112580 | 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 | 112580 | 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 | 12425 | 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 | 12425 | 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 | 12425 | 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 | 211381 | 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 | 211381 | 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 | 16120 | 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 | 16120 | 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 | 137103 | 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 | 137103 | 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 | 137103 | 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 | 213484 | 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 | 63088 | 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 | 63088 | 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 | 63088 | 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 | 63088 | 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 | 106126 | 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 | 106126 | 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 | 6147 | 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 | 6147 | 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 | 5985 | 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 | 5985 | 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 | 215781 | 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 | 210466 | 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 | 213350 | 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 | 213352 | 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 | 213350 | 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 | 213352 | 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 | 213444 | 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 | 213481 | 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 | 213444 | 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 | 213481 | 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 | 210939 | 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 | 210939 | 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 | 206030 | 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 | 206030 | 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 | 121953 | 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 | 121953 | 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 | 167971 | 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 | 167971 | 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 | 16656 | 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 | 34027 | 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 | 34027 | 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 | 211381 | 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 | 117783 | 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 | 16840 | 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 | 6084 | 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 | 6084 | 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 | 119186 | 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 | 119186 | 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 | 167972 | 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 | 167972 | 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 | 205952 | 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 | 205952 | 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 | 61613 | 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 | 61613 | 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 | 215783 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | ||||
| 10747569 | 206986 | 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 | 206986 | 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 | 196256 | 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 | 196256 | 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 | 102516 | 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 | 102516 | 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 | 102516 | 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 | 96517 | 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 | 96517 | 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 | 195073 | 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 | 195073 | 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 | 210125 | 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 | 107143 | 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 | 107143 | 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 | 106880 | 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 | 106880 | 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 | 195778 | 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 | 195778 | 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 | 206243 | 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 | 206243 | 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 | 207036 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL91738 | 207036 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCNC2)cc1 | 10.1021/jm9706630 | ||
| 10741628 | 206653 | 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 | 206653 | 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 | 107131 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 5.1 | Clc1ccc(OCc2nc3ccccc3n2CCCN2CCCCC2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL316291 | 107131 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 383 | 7 | 0 | 4 | 5.1 | Clc1ccc(OCc2nc3ccccc3n2CCCN2CCCCC2)cc1 | 10.1021/jm9706630 | ||
| 73355615 | 102540 | 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 | 102540 | 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 | 102540 | 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 | 206400 | 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 | 206400 | 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 | 5467 | 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 | 5467 | 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 | 119095 | 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 | 119095 | 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 | 139191 | 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 | 139191 | 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 | 139191 | 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 | 16122 | 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 | 16122 | 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 | 102518 | 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 | 102518 | 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 | 102518 | 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 | 111519 | 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 | 111519 | 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 | 186503 | 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 | 186503 | 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 | 37400 | 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 | 37400 | 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 | 206441 | 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 | 206441 | 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 | 211030 | 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 | 185252 | 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 | 185252 | 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 | 102525 | 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 | 102525 | 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 | 102525 | 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 | 37024 | 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 | 37024 | 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 | 106986 | 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 | 106986 | 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 | 112786 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.8 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCN2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL330703 | 112786 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.8 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCN2)cc1 | 10.1021/jm9706630 | ||
| 45270156 | 195012 | 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 | 195012 | 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 | 36957 | 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 | 36957 | 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 | 213406 | 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 | 213406 | 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 | 61616 | 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 | 61616 | 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 | 173611 | 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 | 173611 | 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 | 210128 | 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 | 112757 | 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 | 112757 | 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 | 168005 | 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 | 168005 | 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 | 206224 | 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 | 206224 | 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 | 97701 | 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 | 211381 | 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 | 102538 | 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 | 102538 | 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 | 102538 | 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 | 168911 | 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 | 168911 | 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 | 168786 | 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 | 168786 | 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 | 168786 | 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 | 34290 | 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 | 34290 | 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 | 106919 | 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 | 106919 | 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 | 33777 | 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 | 33777 | 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 | 118449 | 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 | 195235 | 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 | 195235 | 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 | 102539 | 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 | 102539 | 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 | 102539 | 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 | 101913 | 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 | 101913 | 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 | 211381 | 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 | 163699 | 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 | 102535 | 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 | 102535 | 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 | 102535 | 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 | 210128 | 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 | 111404 | 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 | 111404 | 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 | 16302 | 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 | 16302 | 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 | 101661 | 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 | 101661 | 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 | 212817 | 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 | 172278 | 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 | 172278 | 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 | 206826 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.7 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCNCC2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL90574 | 206826 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.7 | Clc1ccc(OCc2nc3ccccc3n2CCC2CCNCC2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL441204 | 213862 | 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 | 6286 | 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 | 6286 | 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 | 63140 | 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 | 63140 | 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 | 63140 | 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 | 18791 | 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 | 213374 | 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 | 63132 | 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 | 63132 | 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 | 63132 | 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 | 112289 | 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 | 112289 | 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 | 15470 | 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 | 15470 | 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 | 120920 | 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 | 120920 | 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 | 206828 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL90605 | 206828 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Clc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1 | 10.1021/jm9706630 | ||
| CHEMBL5288434 | 194401 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 573 | 9 | 2 | 11 | 4.4 | COC(=O)C1=CNC(C)=C(C(=O)OC)C1c1cccc(Nc2nnc(CN3CCC(c4cccc(OC)c4)CC3)o2)c1 | 10.1039/D1MD00058F | ||
| CHEMBL339255 | 117055 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 2788 | 8 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
| 1518 | 2788 | 8 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
| 1521 | 2788 | 8 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
| 24868177 | 2788 | 8 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
| 44288922 | 2788 | 8 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
| 77068007 | 2788 | 8 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
| 90479759 | 2788 | 8 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
| CHEMBL438945 | 2788 | 8 | None | -11 | 10 | Mouse | 8.8 | pKd | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 7623780 | ||||
| 1504 | 2788 | 8 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 1518 | 2788 | 8 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 1521 | 2788 | 8 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 24868177 | 2788 | 8 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 44288922 | 2788 | 8 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 77068007 | 2788 | 8 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 90479759 | 2788 | 8 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| CHEMBL438945 | 2788 | 8 | None | 1 | 10 | Rat | 9.2 | pKd | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 1316999 | ||||
| 164509830 | 216029 | 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 | 216030 | 0 | 125I-[Leu31,Pro34]PYY | -26 | 13 | Rat | 10.1 | pKi | = | 10.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 164509830 | 216029 | 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 | 216028 | 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 | 216029 | 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 | 216029 | 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 | 216033 | 0 | 125I-PYY | 15 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 126455957 | 216028 | 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 | 216028 | 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 | 213397 | 6 | 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 | 213397 | 6 | 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 | 216461 | 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 | 896 | 13 | 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 | 896 | 13 | 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 | 896 | 13 | 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 | 896 | 13 | 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 | 216461 | 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 | 1496 | 77 | UNDEFINED | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 60835 | 1496 | 77 | UNDEFINED | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 972 | 1496 | 77 | UNDEFINED | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| CHEMBL1175 | 1496 | 77 | UNDEFINED | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| DB00476 | 1496 | 77 | UNDEFINED | -9 | 33 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 5656 | 203043 | 87 | UNDEFINED | -7 | 43 | 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 | 203043 | 87 | UNDEFINED | -7 | 43 | 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 | 203104 | 52 | UNDEFINED | -1 | 30 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| CHEMBL641 | 203104 | 52 | UNDEFINED | -1 | 30 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| 3075702 | 217305 | 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 | 140682 | 7 | UNDEFINED | -89125 | 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 | 140682 | 7 | UNDEFINED | -89125 | 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 | 216030 | 0 | 125I-PYY | -40738 | 13 | Mouse | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 216030 | 0 | 3H-Propionyl-NPY | -20892 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 216030 | 0 | [125I] - Peptide YY | -20892 | 13 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 56841989 | 213397 | 6 | 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 | 213397 | 6 | 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 | 216031 | 0 | 125I-PYY | -34673 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 21129772 | 169400 | 4 | [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 | 169400 | 4 | [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 | 169400 | 4 | [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 | 169400 | 4 | [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 | 216032 | 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 | 216030 | 0 | [125I] - Peptide YY | -16595 | 13 | Rhesus macaque | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 21129772 | 169400 | 4 | [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 | 169400 | 4 | [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 | 216030 | 0 | 125I-PYY | -20892 | 13 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 21129772 | 169400 | 4 | [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 | 169400 | 4 | [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 | 216032 | 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 | 216034 | 0 | 125I-PYY | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 1504 | 2788 | 8 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1518 | 2788 | 8 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1521 | 2788 | 8 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 24868177 | 2788 | 8 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 44288922 | 2788 | 8 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 77068007 | 2788 | 8 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 90479759 | 2788 | 8 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| CHEMBL438945 | 2788 | 8 | None | 1 | 10 | Rat | 10.5 | pKi | = | 10.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1485 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 628 | 31 | 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 | 2868 | 0 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 155817422 | 2868 | 0 | None | 1 | 5 | Rat | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1505 | 2861 | 0 | None | 4 | 4 | Rat | 10.0 | pKi | None | 10 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| CHEMBL441396 | 2861 | 0 | None | 4 | 4 | Rat | 10.0 | pKi | None | 10 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1527 | 2291 | 0 | None | 1 | 5 | Rat | 10.2 | pKi | None | 10.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1515 | 3030 | 0 | None | 1 | 6 | Rat | 10.2 | pKi | None | 10.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| CHEMBL269503 | 3030 | 0 | None | 1 | 6 | Rat | 10.2 | pKi | None | 10.2 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1545 | 2289 | 0 | None | 50 | 4 | Rat | 10.6 | pKi | None | 10.6 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1529 | 1838 | 0 | None | 1 | 5 | Rat | 10.9 | pKi | None | 10.9 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1513 | 2981 | 0 | None | -5011 | 6 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1517 | 3220 | 0 | None | -112 | 3 | Rat | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1516 | 3218 | 0 | None | -39 | 5 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 57339564 | 3218 | 0 | None | -39 | 5 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 91898411 | 3218 | 0 | None | -39 | 5 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1510 | 2871 | 0 | None | -31 | 6 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 155817418 | 2871 | 0 | None | -31 | 6 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 16142730 | 2871 | 0 | None | -31 | 6 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1507 | 2863 | 0 | None | -12 | 7 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 44351001 | 2863 | 0 | None | -12 | 7 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 91929182 | 2863 | 0 | None | -12 | 7 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| CHEMBL265849 | 2863 | 0 | None | -12 | 7 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1511 | 2978 | 0 | None | -354 | 2 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1512 | 2982 | 0 | None | -630 | 6 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9145427 | ||||
| 1530 | 3637 | 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 | 3637 | 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 | 2861 | 0 | None | -6 | 4 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 16097949 | ||||
| CHEMBL441396 | 2861 | 0 | None | -6 | 4 | Human | 9.7 | pKi | None | 9.7 | Binding | Guide to Pharmacology | None | None | None | None | 16097949 | ||||