Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
56841989 | 220199 | 6 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | 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 | 220199 | 6 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||||
56841989 | 220199 | 6 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | 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 | 220199 | 6 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | 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 | ||||
CHEMBL4288294 | 220257 | 0 | None | -3 | 2 | Human | 7.0 | pEC50 | = | 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)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL3099727 | 217805 | 0 | None | -30 | 2 | Human | 7.0 | pEC50 | = | 7.0 | 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)O[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 | ||||
162676875 | 190351 | 0 | None | -1995 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)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](Cc1c[nH]c2ccccc12)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)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)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](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 | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4800389 | 190351 | 0 | None | -1995 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)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](Cc1c[nH]c2ccccc12)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)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)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](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 | 10.1021/acs.jmedchem.0c00740 | ||
CHEMBL4277676 | 220154 | 0 | None | -31 | 3 | 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)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 | ||||
CHEMBL4290445 | 220274 | 0 | None | -100 | 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](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 | ||||
CHEMBL4277676 | 220154 | 0 | None | -31 | 3 | 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)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 | ||||
CHEMBL4290445 | 220274 | 0 | None | -100 | 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](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 | ||||
CHEMBL3099723 | 217801 | 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 | ||||
CHEMBL3099722 | 217800 | 0 | None | -85 | 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)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 | ||||
CHEMBL4284905 | 220229 | 0 | None | -12 | 4 | Human | 8.6 | pEC50 | = | 8.6 | 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 | ||||
CHEMBL4284905 | 220229 | 0 | None | -12 | 4 | Human | 8.6 | pEC50 | = | 8.6 | 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 | ||||
CHEMBL2110365 | 215992 | 4 | None | -213 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | 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 | ||||
CHEMBL4280392 | 220185 | 0 | None | -31 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||||
CHEMBL4280392 | 220185 | 0 | None | -31 | 4 | Human | 6.6 | pEC50 | = | 6.6 | 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 | ||||
CHEMBL3099721 | 217799 | 0 | None | -95 | 4 | Human | 7.5 | pEC50 | = | 7.5 | 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](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 | ||||
CHEMBL4277590 | 220152 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | 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@@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 | ||||
12607 | 10556 | 42 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
16033 | 10556 | 42 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
CHEMBL3559801 | 10556 | 42 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
CHEMBL4277590 | 220152 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | 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@@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 | ||||
CHEMBL4279973 | 220180 | 0 | None | -19 | 4 | Human | 8.4 | pEC50 | = | 8.4 | 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](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 | ||||
CHEMBL3099724 | 217802 | 0 | None | -35 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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)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 | ||||
CHEMBL4294418 | 220310 | 0 | None | -199 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||||
CHEMBL4279973 | 220180 | 0 | None | -19 | 4 | Human | 8.4 | pEC50 | = | 8.4 | 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](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 | ||||
CHEMBL4294418 | 220310 | 0 | None | -199 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | 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 | ||||
CHEMBL439904 | 220633 | 13 | None | -72 | 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](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 | ||||
CHEMBL3099724 | 217802 | 0 | None | -35 | 4 | Human | 7.4 | pEC50 | = | 7.4 | 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)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 | ||||
CHEMBL4276961 | 220147 | 0 | None | -50 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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)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 | ||||
CHEMBL4286615 | 220243 | 0 | None | -31 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||||
CHEMBL4276961 | 220147 | 0 | None | -50 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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)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 | ||||
CHEMBL4286615 | 220243 | 0 | None | -31 | 4 | Human | 8.3 | pEC50 | = | 8.3 | 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 | ||||
CHEMBL4285633 | 220236 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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](CCNC(=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 | ||||
CHEMBL4294277 | 220309 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | 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)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 | ||||
CHEMBL4285633 | 220236 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | 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](CCNC(=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 | ||||
CHEMBL4294277 | 220309 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | 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)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 | ||||
CHEMBL4281010 | 220192 | 0 | None | -63 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | ||||
CHEMBL4281010 | 220192 | 0 | None | -63 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | 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 | ||||
CHEMBL4278700 | 220169 | 0 | None | -31 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||||
CHEMBL4278700 | 220169 | 0 | None | -31 | 4 | Human | 8.2 | pEC50 | = | 8.2 | 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 | ||||
CHEMBL429531 | 220316 | 15 | None | -29 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | ||||
CHEMBL4279794 | 220178 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | ||||
CHEMBL4292105 | 220292 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4279794 | 220178 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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 | ||||
CHEMBL4292105 | 220292 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4282168 | 220208 | 0 | None | -158 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | ||||
CHEMBL4283257 | 220216 | 0 | None | -158 | 3 | 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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4282168 | 220208 | 0 | None | -158 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | 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 | ||||
CHEMBL4283257 | 220216 | 0 | None | -158 | 3 | 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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL439904 | 220633 | 13 | None | -72 | 4 | Human | 8.1 | pEC50 | = | 8.1 | 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(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
22253974 | 72751 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836324 | 72751 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
44271559 | 104933 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 5.1 | CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL273811 | 104933 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 5.1 | CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
9908801 | 72746 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836319 | 72746 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
44271542 | 71361 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 433 | 7 | 2 | 6 | 4.5 | CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL18163 | 71361 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 433 | 7 | 2 | 6 | 4.5 | CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
22325336 | 195737 | 1 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
CHEMBL508271 | 195737 | 1 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
11491176 | 206822 | 38 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL595573 | 206822 | 38 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2010.09.064 | ||
9887852 | 72749 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836322 | 72749 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
44580050 | 190983 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
CHEMBL483251 | 190983 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
20587808 | 194635 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
CHEMBL496327 | 194635 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
12071667 | 194800 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
CHEMBL497569 | 194800 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
22254068 | 72744 | 32 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836317 | 72744 | 32 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
20651581 | 72753 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836326 | 72753 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
22254003 | 72742 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836315 | 72742 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
57393057 | 78015 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956843 | 78015 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
44271459 | 66727 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 4 | 2 | 4 | 5.8 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17326 | 66727 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 4 | 2 | 4 | 5.8 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
57391285 | 78042 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cn3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956938 | 78042 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cn3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
57399999 | 78040 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 316 | 5 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2oc(NCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956935 | 78040 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 316 | 5 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2oc(NCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
24950871 | 185308 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
CHEMBL466756 | 185308 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
10969955 | 117365 | 0 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
CHEMBL325475 | 117365 | 0 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
44271442 | 70022 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1)S(=O)(=O)c1cccc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17911 | 70022 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1)S(=O)(=O)c1cccc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
24950557 | 185601 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
CHEMBL469256 | 185601 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
9907999 | 171647 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
CHEMBL422012 | 171647 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
57398333 | 78038 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 308 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(NC3CCCCC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956933 | 78038 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 308 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(NC3CCCCC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
57391273 | 78016 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956844 | 78016 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
2418871 | 78013 | 1 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 302 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956841 | 78013 | 1 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 302 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
10046270 | 69570 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
CHEMBL1784131 | 69570 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
57391275 | 78021 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 433 | 5 | 1 | 7 | 4.1 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956850 | 78021 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 433 | 5 | 1 | 7 | 4.1 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
44271493 | 105357 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.6 | CN(C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL276768 | 105357 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.6 | CN(C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
57401791 | 78033 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3cc(NS(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956928 | 78033 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3cc(NS(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
42630820 | 193857 | 10 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
CHEMBL491288 | 193857 | 10 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
44271549 | 67823 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 425 | 7 | 3 | 6 | 3.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17632 | 67823 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 425 | 7 | 3 | 6 | 3.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
57396549 | 78036 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 389 | 6 | 2 | 6 | 4.5 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)C(C)(C)C)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956931 | 78036 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 389 | 6 | 2 | 6 | 4.5 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)C(C)(C)C)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
9923839 | 193819 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
CHEMBL490937 | 193819 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
44271565 | 104907 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL273597 | 104907 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
44271531 | 105626 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 489 | 8 | 3 | 6 | 5.0 | Nc1nc(NCC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL278881 | 105626 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 489 | 8 | 3 | 6 | 5.0 | Nc1nc(NCC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
1562 | 7686 | 13 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
5312114 | 7686 | 13 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17645 | 7686 | 13 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL195380 | 7686 | 13 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
2350190 | 58631 | 6 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1585484 | 58631 | 6 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.01.027 | ||
44271517 | 65810 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 394 | 5 | 2 | 4 | 7.2 | c1ccc(Nc2nc(Nc3ccc(C4CCCCC4)cc3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL16936 | 65810 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 394 | 5 | 2 | 4 | 7.2 | c1ccc(Nc2nc(Nc3ccc(C4CCCCC4)cc3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
44271450 | 173913 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 326 | 4 | 2 | 4 | 5.4 | Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL429053 | 173913 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 326 | 4 | 2 | 4 | 5.4 | Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
57391274 | 78019 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 387 | 5 | 1 | 7 | 3.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956848 | 78019 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 387 | 5 | 1 | 7 | 3.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
57401790 | 78030 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 332 | 5 | 1 | 6 | 3.4 | CCOc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956925 | 78030 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 332 | 5 | 1 | 6 | 3.4 | CCOc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
44271541 | 67064 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 499 | 7 | 2 | 5 | 6.8 | CN(C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)C(=O)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17427 | 67064 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 499 | 7 | 2 | 5 | 6.8 | CN(C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)C(=O)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
44271532 | 66517 | 1 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 6.4 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1Cl | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17247 | 66517 | 1 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 6.4 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1Cl | 10.1016/s0960-894x(00)00177-3 | ||
9955360 | 105330 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 449 | 10 | 3 | 6 | 4.3 | Nc1nc(NCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL276551 | 105330 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 449 | 10 | 3 | 6 | 4.3 | Nc1nc(NCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
9907999 | 171647 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
CHEMBL422012 | 171647 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
44271484 | 105599 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL278677 | 105599 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
22254020 | 72743 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836316 | 72743 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
20651572 | 72759 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836332 | 72759 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
22254050 | 72745 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836318 | 72745 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
25346026 | 78017 | 3 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 386 | 5 | 1 | 6 | 4.3 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956846 | 78017 | 3 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 386 | 5 | 1 | 6 | 4.3 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
57399997 | 78029 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 416 | 5 | 1 | 8 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956923 | 78029 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 416 | 5 | 1 | 8 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
44271468 | 105667 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 485 | 7 | 3 | 5 | 6.4 | O=C(NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL279181 | 105667 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 485 | 7 | 3 | 5 | 6.4 | O=C(NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
57403501 | 78014 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956842 | 78014 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
44271506 | 66788 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 342 | 5 | 2 | 5 | 5.1 | COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17352 | 66788 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 342 | 5 | 2 | 5 | 5.1 | COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
44271550 | 68144 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 462 | 10 | 2 | 7 | 6.9 | CCOP(=O)(Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)OCC | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17686 | 68144 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 462 | 10 | 2 | 7 | 6.9 | CCOP(=O)(Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)OCC | 10.1016/s0960-894x(00)00177-3 | ||
1202745 | 195781 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
CHEMBL508770 | 195781 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
22254131 | 72726 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836103 | 72726 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
57403512 | 78035 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956930 | 78035 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
9884833 | 117329 | 41 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
CHEMBL325226 | 117329 | 41 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
44271486 | 170003 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCCC(CNS(=O)(=O)c3cccc4ccccc34)C2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL418359 | 170003 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCCC(CNS(=O)(=O)c3cccc4ccccc34)C2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
44271529 | 65864 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2cccc(CNS(=O)(=O)c3cccc4ccccc34)c2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL16965 | 65864 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2cccc(CNS(=O)(=O)c3cccc4ccccc34)c2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
44271525 | 66959 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 423 | 6 | 3 | 5 | 5.1 | CC(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17398 | 66959 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 423 | 6 | 3 | 5 | 5.1 | CC(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
44271478 | 67212 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 501 | 8 | 3 | 6 | 5.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc(Nc4ccccc4)c4ccccc4n3)CC2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17521 | 67212 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 501 | 8 | 3 | 6 | 5.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc(Nc4ccccc4)c4ccccc4n3)CC2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
44271487 | 105698 | 3 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 383 | 7 | 2 | 5 | 6.0 | CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL279408 | 105698 | 3 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 383 | 7 | 2 | 5 | 6.0 | CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
44271638 | 67176 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 6 | 2 | 6 | 6.0 | O=C(O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17496 | 67176 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 6 | 2 | 6 | 6.0 | O=C(O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
22254119 | 72741 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836314 | 72741 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
44271637 | 66385 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 463 | 11 | 3 | 6 | 4.7 | Nc1nc(NCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17196 | 66385 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 463 | 11 | 3 | 6 | 4.7 | Nc1nc(NCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
9886706 | 185421 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
CHEMBL467558 | 185421 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
44271592 | 68163 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 477 | 12 | 3 | 6 | 5.1 | Nc1nc(NCCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17701 | 68163 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 477 | 12 | 3 | 6 | 5.1 | Nc1nc(NCCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
57394791 | 78034 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3ccc(S(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956929 | 78034 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3ccc(S(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
44271562 | 105466 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 447 | 5 | 3 | 6 | 4.1 | Nc1nc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL277551 | 105466 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 447 | 5 | 3 | 6 | 4.1 | Nc1nc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
56683832 | 72750 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836323 | 72750 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
25067562 | 193750 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
CHEMBL490427 | 193750 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
44271691 | 70033 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(NC3CCCCC3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17914 | 70033 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(NC3CCCCC3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
2387945 | 50493 | 6 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1510429 | 50493 | 6 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
44271482 | 67043 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 461 | 6 | 2 | 6 | 4.3 | Nc1nc(NCCC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17417 | 67043 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 461 | 6 | 2 | 6 | 4.3 | Nc1nc(NCCC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
44271467 | 67124 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 6 | 3 | 5 | 5.2 | CNC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17454 | 67124 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 6 | 3 | 5 | 5.2 | CNC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
57403513 | 78037 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 458 | 5 | 2 | 7 | 4.7 | C[C@H]1CN(c2ccc(Nc3nc4ccc(NS(=O)(=O)C(C)(C)C)cc4o3)cc2)C[C@@H](C)O1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956932 | 78037 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 458 | 5 | 2 | 7 | 4.7 | C[C@H]1CN(c2ccc(Nc3nc4ccc(NS(=O)(=O)C(C)(C)C)cc4o3)cc2)C[C@@H](C)O1 | 10.1016/j.bmcl.2012.01.027 | ||
24950710 | 185594 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
CHEMBL469173 | 185594 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
44271533 | 66895 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 5.5 | CC(=O)N(C)C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17395 | 66895 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 5.5 | CC(=O)N(C)C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
22639804 | 105327 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 5 | 2 | 6 | 4.7 | CC(=O)O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL276530 | 105327 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 5 | 2 | 6 | 4.7 | CC(=O)O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
9884833 | 117329 | 41 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
CHEMBL325226 | 117329 | 41 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
9887225 | 193927 | 3 | None | -2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
CHEMBL491930 | 193927 | 3 | None | -2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
1565 | 8988 | 15 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
624746 | 8988 | 15 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
CHEMBL491762 | 8988 | 15 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
24950556 | 196250 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
CHEMBL513701 | 196250 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
10110741 | 194779 | 3 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
CHEMBL497359 | 194779 | 3 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
57403511 | 78032 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 374 | 5 | 1 | 6 | 4.5 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956927 | 78032 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 374 | 5 | 1 | 6 | 4.5 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
57393069 | 78043 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 388 | 5 | 1 | 8 | 2.6 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956939 | 78043 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 388 | 5 | 1 | 8 | 2.6 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
44579887 | 199872 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | ||
CHEMBL522589 | 199872 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | ||
25211875 | 199428 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | ||
CHEMBL521750 | 199428 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | ||
57328464 | 78020 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 7 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956849 | 78020 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 7 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
44271437 | 105241 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 7 | 1 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CN(C)S(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL275845 | 105241 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 7 | 1 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CN(C)S(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
57396550 | 78039 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 364 | 4 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc2oc(NC3CCC(C(C)(C)C)CC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956934 | 78039 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 364 | 4 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc2oc(NC3CCC(C(C)(C)C)CC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
2418891 | 57786 | 5 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 358 | 4 | 1 | 5 | 4.7 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1578465 | 57786 | 5 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 358 | 4 | 1 | 5 | 4.7 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
24950714 | 185478 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
CHEMBL468225 | 185478 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
57398334 | 78041 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956937 | 78041 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
10047509 | 69569 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
CHEMBL1784130 | 69569 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
9801629 | 72752 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836325 | 72752 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
213847 | 67158 | 7 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17483 | 67158 | 7 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
9803547 | 185419 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
CHEMBL467550 | 185419 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
24950712 | 196146 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
CHEMBL512787 | 196146 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
57393058 | 78018 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956847 | 78018 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
9847327 | 72748 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836321 | 72748 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
44577739 | 196170 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
CHEMBL512996 | 196170 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
20651605 | 72747 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836320 | 72747 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
57399998 | 78031 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956926 | 78031 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
44158542 | 24317 | 0 | None | - | 0 | Human | 10.6 | pKi | = | 10.6 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3cnc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257993 | 24317 | 0 | None | - | 0 | Human | 10.6 | pKi | = | 10.6 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3cnc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
24994659 | 24352 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccn(-c4ccccc4F)n3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258111 | 24352 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccn(-c4ccccc4F)n3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
52944983 | 24383 | 0 | None | - | 0 | Human | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cncnc1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258225 | 24383 | 0 | None | - | 0 | Human | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cncnc1 | 10.1016/j.bmcl.2010.08.041 | ||
44158762 | 24316 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257992 | 24316 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
52941430 | 24414 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cnccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258341 | 24414 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cnccn1 | 10.1016/j.bmcl.2010.08.041 | ||
44158764 | 24561 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1ccccc1-c1ccc(NC[C@H]2CC[C@]3(CC2)CN(c2cccnn2)C(=O)O3)nn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258787 | 24561 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1ccccc1-c1ccc(NC[C@H]2CC[C@]3(CC2)CN(c2cccnn2)C(=O)O3)nn1 | 10.1016/j.bmcl.2010.08.041 | ||
24996879 | 24351 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3nc(-c4ccccn4)cs3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258110 | 24351 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3nc(-c4ccccn4)cs3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
52942650 | 24213 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257636 | 24213 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.08.041 | ||
52942663 | 24413 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 439 | 5 | 1 | 6 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258340 | 24413 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 439 | 5 | 1 | 6 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.08.041 | ||
52942671 | 24451 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258453 | 24451 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
44158763 | 24524 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 452 | 5 | 1 | 7 | 4.2 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4cc(F)cc(F)c4)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258674 | 24524 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 452 | 5 | 1 | 7 | 4.2 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4cc(F)cc(F)c4)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
44159473 | 24214 | 0 | None | - | 0 | Human | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4nccs4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257637 | 24214 | 0 | None | - | 0 | Human | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4nccs4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
44159236 | 24251 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 416 | 5 | 1 | 7 | 3.9 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257760 | 24251 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 416 | 5 | 1 | 7 | 3.9 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
44159353 | 24252 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 408 | 6 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccc(OC4CCC4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257761 | 24252 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 408 | 6 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccc(OC4CCC4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
52950004 | 24523 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258673 | 24523 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
25071621 | 25872 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.5 | O=C1OC2(CCN(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289154 | 25872 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.5 | O=C1OC2(CCN(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
52948742 | 24452 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1ccnnc1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258454 | 24452 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1ccnnc1 | 10.1016/j.bmcl.2010.08.041 | ||
52948986 | 24488 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 5 | 1 | 8 | 4.2 | Cc1nnc(N2C[C@]3(CC[C@@H](CNc4cnn(-c5ccccc5F)c4)CC3)OC2=O)s1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258562 | 24488 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 5 | 1 | 8 | 4.2 | Cc1nnc(N2C[C@]3(CC[C@@H](CNc4cnn(-c5ccccc5F)c4)CC3)OC2=O)s1 | 10.1016/j.bmcl.2010.08.041 | ||
25071620 | 25871 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 3 | 1 | 4 | 5.4 | O=C1OC2(CCN(c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289153 | 25871 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 3 | 1 | 4 | 5.4 | O=C1OC2(CCN(c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
44160200 | 24562 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1cccc(-c2ccc(NC[C@H]3CC[C@]4(CC3)CN(c3cccnn3)C(=O)O4)nc2)n1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258788 | 24562 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1cccc(-c2ccc(NC[C@H]3CC[C@]4(CC3)CN(c3cccnn3)C(=O)O4)nc2)n1 | 10.1016/j.bmcl.2010.08.041 | ||
44158545 | 24382 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ncc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258224 | 24382 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ncc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
44160199 | 24594 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccc4F)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258907 | 24594 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccc4F)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
25071310 | 25886 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 431 | 3 | 1 | 4 | 5.5 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289267 | 25886 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 431 | 3 | 1 | 4 | 5.5 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
25072880 | 25906 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccc(F)cc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289386 | 25906 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccc(F)cc1 | 10.1016/j.bmcl.2010.09.064 | ||
25073190 | 25999 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 372 | 2 | 1 | 4 | 4.5 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1290037 | 25999 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 372 | 2 | 1 | 4 | 4.5 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
49862239 | 21781 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.1 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209159 | 21781 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.1 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
25072875 | 25939 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3)OC2=O)n1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289609 | 25939 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3)OC2=O)n1 | 10.1016/j.bmcl.2010.09.064 | ||
52943793 | 24176 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 435 | 5 | 1 | 6 | 4.7 | Cc1ncccc1N1C[C@]2(CC[C@@H](CNc3cnn(-c4ccccc4F)c3)CC2)OC1=O | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257520 | 24176 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 435 | 5 | 1 | 6 | 4.7 | Cc1ncccc1N1C[C@]2(CC[C@@H](CNc3cnn(-c4ccccc4F)c3)CC2)OC1=O | 10.1016/j.bmcl.2010.08.041 | ||
49862241 | 21784 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209162 | 21784 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
49862400 | 21825 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 398 | 6 | 1 | 5 | 4.3 | Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209345 | 21825 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 398 | 6 | 1 | 5 | 4.3 | Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
25073189 | 25887 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1F | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289268 | 25887 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1F | 10.1016/j.bmcl.2010.09.064 | ||
25071931 | 25973 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 415 | 2 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289820 | 25973 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 415 | 2 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
25072877 | 26000 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 390 | 2 | 1 | 4 | 4.6 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccc(F)cc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1290038 | 26000 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 390 | 2 | 1 | 4 | 4.6 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccc(F)cc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
49862240 | 21782 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C(N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209160 | 21782 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C(N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.06.140 | ||
49862289 | 21795 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209216 | 21795 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
22253974 | 72751 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836324 | 72751 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
9887852 | 72749 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836322 | 72749 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
44159235 | 24286 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3ccc(C(F)(F)F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257881 | 24286 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3ccc(C(F)(F)F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
49862157 | 21763 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 394 | 5 | 1 | 5 | 3.8 | O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209052 | 21763 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 394 | 5 | 1 | 5 | 3.8 | O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
49862200 | 21770 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209101 | 21770 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
49862200 | 21771 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209102 | 21771 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
9845943 | 72756 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1cccc2c1OCCc1sc(N[C@H]3CC[C@H](CNS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836329 | 72756 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1cccc2c1OCCc1sc(N[C@H]3CC[C@H](CNS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
9888553 | 72758 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 423 | 5 | 2 | 5 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836331 | 72758 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 423 | 5 | 2 | 5 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
49862401 | 21826 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 376 | 6 | 1 | 5 | 4.6 | CC(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209346 | 21826 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 376 | 6 | 1 | 5 | 4.6 | CC(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
25071929 | 25851 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 426 | 2 | 1 | 4 | 4.3 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289038 | 25851 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 426 | 2 | 1 | 4 | 4.3 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
25073191 | 25923 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289503 | 25923 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
25073801 | 25956 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289714 | 25956 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
9908801 | 72746 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836319 | 72746 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
22254068 | 72744 | 32 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836317 | 72744 | 32 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
22254068 | 72744 | 32 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836317 | 72744 | 32 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
44159706 | 24489 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 417 | 5 | 1 | 8 | 3.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1258563 | 24489 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 417 | 5 | 1 | 8 | 3.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
49862158 | 21764 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.9 | O=C(c1cc(F)cc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209053 | 21764 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.9 | O=C(c1cc(F)cc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
49862339 | 21808 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 362 | 6 | 1 | 5 | 4.0 | c1ccc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209280 | 21808 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 362 | 6 | 1 | 5 | 4.0 | c1ccc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
25072242 | 26110 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 4.6 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1290706 | 26110 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 4.6 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
22254110 | 72757 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 415 | 8 | 2 | 6 | 3.7 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836330 | 72757 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 415 | 8 | 2 | 6 | 3.7 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
22254020 | 72743 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836316 | 72743 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
24987242 | 24068 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257173 | 24068 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.08.041 | ||
24987242 | 24068 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1257173 | 24068 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.09.064 | ||
49862337 | 21806 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.1 | c1ccc(-c2csc(NC[C@@H]3[C@H]4CNC[C@H]43)n2)nc1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209278 | 21806 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.1 | c1ccc(-c2csc(NC[C@@H]3[C@H]4CNC[C@H]43)n2)nc1 | 10.1016/j.bmcl.2010.06.140 | ||
10872843 | 109715 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | ||
CHEMBL306277 | 109715 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | ||
49862156 | 21761 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209050 | 21761 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
22254119 | 72741 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836314 | 72741 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
4527770 | 21827 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1209347 | 21827 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.08.041 | ||
4527770 | 21827 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209347 | 21827 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
20651572 | 72759 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836332 | 72759 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
9982218 | 108541 | 6 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | 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 | 108541 | 6 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | 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 | 108541 | 6 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | 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 | ||
25071930 | 25852 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 366 | 2 | 1 | 4 | 3.7 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289039 | 25852 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 366 | 2 | 1 | 4 | 3.7 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
25072244 | 25972 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289819 | 25972 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.09.064 | ||
20651606 | 72754 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836327 | 72754 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
49862155 | 21760 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 342 | 5 | 1 | 5 | 3.0 | CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209049 | 21760 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 342 | 5 | 1 | 5 | 3.0 | CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
49862156 | 21762 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209051 | 21762 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
25072245 | 25922 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 465 | 3 | 1 | 4 | 6.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1Cl | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289502 | 25922 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 465 | 3 | 1 | 4 | 6.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1Cl | 10.1016/j.bmcl.2010.09.064 | ||
22254050 | 72745 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836318 | 72745 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
22254003 | 72742 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836315 | 72742 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
9885994 | 211877 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
CHEMBL77639 | 211877 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
25072246 | 25957 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289715 | 25957 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.09.064 | ||
46927904 | 21754 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 2.3 | CC(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1208996 | 21754 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 2.3 | CC(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
9801629 | 72752 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836325 | 72752 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
20651581 | 72753 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836326 | 72753 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
49862338 | 21807 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 328 | 6 | 1 | 5 | 3.5 | CC(C)CN1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209279 | 21807 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 328 | 6 | 1 | 5 | 3.5 | CC(C)CN1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
49862340 | 21809 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 4.6 | Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209281 | 21809 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 4.6 | Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
25074110 | 25985 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 434 | 2 | 1 | 4 | 5.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289937 | 25985 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 434 | 2 | 1 | 4 | 5.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
49862336 | 21805 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 384 | 5 | 1 | 6 | 2.7 | O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209277 | 21805 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 384 | 5 | 1 | 6 | 2.7 | O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
25022356 | 26111 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 348 | 2 | 1 | 4 | 3.6 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1290707 | 26111 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 348 | 2 | 1 | 4 | 3.6 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
22254131 | 72726 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836103 | 72726 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
20651605 | 72747 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836320 | 72747 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
10429613 | 170118 | 0 | None | 60 | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
CHEMBL419086 | 170118 | 0 | None | 60 | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
44158441 | 24287 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 5.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nc3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
CHEMBL1257882 | 24287 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 5.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nc3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
49862198 | 21769 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1cccnc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209100 | 21769 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1cccnc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
49862288 | 21794 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 7 | 1 | 5 | 4.8 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C(C)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209215 | 21794 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 7 | 1 | 5 | 4.8 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C(C)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
49862290 | 21797 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.5 | O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209218 | 21797 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.5 | O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
25072243 | 25907 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 445 | 3 | 1 | 4 | 5.8 | Cc1ccccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289387 | 25907 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 445 | 3 | 1 | 4 | 5.8 | Cc1ccccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
25072876 | 25984 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289936 | 25984 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
54752621 | 74594 | 0 | None | - | 0 | Rat | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
CHEMBL1909725 | 74594 | 0 | None | - | 0 | Rat | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
49862199 | 21740 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1ccncc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1208795 | 21740 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1ccncc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
11824961 | 211949 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
CHEMBL78265 | 211949 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
49862241 | 21783 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209161 | 21783 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
20651616 | 72755 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)OCCc1sc(NC[C@H]3CC[C@H](NS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836328 | 72755 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)OCCc1sc(NC[C@H]3CC[C@H](NS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
9847327 | 72748 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836321 | 72748 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
46927903 | 21796 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.4 | O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
CHEMBL1209217 | 21796 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.4 | O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
25073188 | 26015 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 373 | 2 | 1 | 5 | 3.9 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccn3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1290147 | 26015 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 373 | 2 | 1 | 5 | 3.9 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccn3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
25072568 | 25940 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1ncccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL1289610 | 25940 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1ncccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
56683832 | 72750 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836323 | 72750 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
1522 | 7124 | 0 | None | 1 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
1522 | 7124 | 0 | None | -1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
11589975 | 8455 | 0 | None | - | 1 | Human | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | 390 | 5 | 1 | 3 | 5.2 | O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C | 16436501 | ||
1563 | 8455 | 0 | None | - | 1 | Human | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | 390 | 5 | 1 | 3 | 5.2 | O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C | 16436501 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
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Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
56841989 | 220199 | 6 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 220199 | 6 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | |||||
56841989 | 220199 | 6 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | 220199 | 6 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | 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 | |||||
CHEMBL4280392 | 220185 | 0 | None | - | 4 | Mouse | 6.7 | pEC50 | = | 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)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 | |||||
CHEMBL4283257 | 220216 | 0 | None | - | 4 | Mouse | 5.7 | pEC50 | = | 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](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 | |||||
CHEMBL4276961 | 220147 | 0 | None | - | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | |||||
CHEMBL4276961 | 220147 | 0 | None | - | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | 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 | 220185 | 0 | None | - | 4 | Mouse | 6.7 | pEC50 | = | 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)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 | |||||
CHEMBL4283257 | 220216 | 0 | None | - | 4 | Mouse | 5.7 | pEC50 | = | 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](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 | |||||
CHEMBL4292105 | 220292 | 0 | None | - | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | 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](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 | |||||
CHEMBL4292105 | 220292 | 0 | None | - | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | 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](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 | 220246 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290445 | 220274 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 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](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 | |||||
CHEMBL4287058 | 220246 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 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)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290445 | 220274 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 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](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 | |||||
70675708 | 135260 | 0 | None | - | 0 | Mouse | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 378 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | |||
CHEMBL3666784 | 135260 | 0 | None | - | 0 | Mouse | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 378 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | |||
70682528 | 83677 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070148 | 83677 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
70695120 | 83680 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070151 | 83680 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
70675728 | 135263 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3F)no2)CC1 | nan | |||
CHEMBL3666787 | 135263 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3F)no2)CC1 | nan | |||
10758227 | 125756 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.9 | CCCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
CHEMBL342438 | 125756 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.9 | CCCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
70675706 | 135258 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 396 | 7 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
CHEMBL3666782 | 135258 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 396 | 7 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
18004956 | 193983 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 453 | 2 | 1 | 3 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL492370 | 193983 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 453 | 2 | 1 | 3 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
70688847 | 83576 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(C)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2069316 | 83576 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(C)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
71453237 | 88123 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.5 | O=S(=O)(CC(F)(F)F)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159167 | 88123 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.5 | O=S(=O)(CC(F)(F)F)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
70675705 | 135257 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
CHEMBL3666781 | 135257 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
70675727 | 135262 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | |||
CHEMBL3666786 | 135262 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | |||
70675729 | 135264 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cc(F)cc(F)c3)no2)CC1 | nan | |||
CHEMBL3666788 | 135264 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cc(F)cc(F)c3)no2)CC1 | nan | |||
10255890 | 105239 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 5.4 | O=C(Nc1ccc(Cl)c2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL275841 | 105239 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 5.4 | O=C(Nc1ccc(Cl)c2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
68613905 | 132220 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.8 | O=C(N[C@H]1CC[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | |||
CHEMBL3646136 | 132220 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.8 | O=C(N[C@H]1CC[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | |||
71454971 | 88121 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CC(C)CS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159165 | 88121 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CC(C)CS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
70688848 | 83690 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)CC(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070161 | 83690 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)CC(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | |||
71458601 | 88114 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 383 | 5 | 1 | 4 | 4.1 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159158 | 88114 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 383 | 5 | 1 | 4 | 4.1 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
10471957 | 32361 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 332 | 2 | 1 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4o3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL135143 | 32361 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 332 | 2 | 1 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4o3)cc2n1 | 10.1021/jm000269t | |||
10712643 | 36159 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(F)cc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL138379 | 36159 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(F)cc3)cc2n1 | 10.1021/jm000269t | |||
10783815 | 126060 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccc(F)c3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL343817 | 126060 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccc(F)c3)cc2n1 | 10.1021/jm000269t | |||
70697155 | 83686 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccnc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070157 | 83686 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccnc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
70675703 | 135255 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | |||
CHEMBL3666779 | 135255 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | |||
70675704 | 135256 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 364 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | |||
CHEMBL3666780 | 135256 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 364 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | |||
11793187 | 34991 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)cc(F)c3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137378 | 34991 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)cc(F)c3)cc2n1 | 10.1021/jm000269t | |||
10266238 | 177584 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.7 | Cc1nc(N2CC=CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL445328 | 177584 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.7 | Cc1nc(N2CC=CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
68059511 | 132230 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 5 | 1 | 6 | 5.2 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccn4)CC3)ccc21 | nan | |||
CHEMBL3646146 | 132230 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 5 | 1 | 6 | 5.2 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccn4)CC3)ccc21 | nan | |||
66575661 | 83669 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070140 | 83669 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
56835982 | 88118 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159162 | 88118 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
56835982 | 88118 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2159162 | 88118 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
56649677 | 83666 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.7 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070137 | 83666 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.7 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
9868487 | 209566 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL62166 | 209566 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1016/s0960-894x(01)00448-6 | |||
9868487 | 209566 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm980521l | |||
CHEMBL62166 | 209566 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm980521l | |||
10736124 | 35084 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
CHEMBL137449 | 35084 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
10040233 | 125991 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(-c3ccc(C)o3)cc-2[nH]1 | 10.1021/jm000269t | |||
CHEMBL343318 | 125991 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(-c3ccc(C)o3)cc-2[nH]1 | 10.1021/jm000269t | |||
89986727 | 135271 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 2.7 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CCCC3)no2)CC1 | nan | |||
CHEMBL3666794 | 135271 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 2.7 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CCCC3)no2)CC1 | nan | |||
10915401 | 211926 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 5.0 | CC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL78089 | 211926 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 5.0 | CC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
70697153 | 83676 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070147 | 83676 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
10030142 | 64928 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 537 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL167991 | 64928 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 537 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
70684603 | 83684 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070155 | 83684 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
68601225 | 131180 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 453 | 5 | 1 | 6 | 5.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)ccc21 | nan | |||
CHEMBL3639450 | 131180 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 453 | 5 | 1 | 6 | 5.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)ccc21 | nan | |||
18004895 | 194459 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL495169 | 194459 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
18004895 | 194459 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL495169 | 194459 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
68598300 | 132232 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 456 | 4 | 1 | 6 | 3.7 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](N2c3ccccc3OS2(=O)=O)CC1 | nan | |||
CHEMBL3646148 | 132232 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 456 | 4 | 1 | 6 | 3.7 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](N2c3ccccc3OS2(=O)=O)CC1 | nan | |||
44271202 | 65907 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL16986 | 65907 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
44271276 | 66729 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17327 | 66729 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
71454968 | 88112 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159156 | 88112 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
91755094 | 135275 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(C)CC(F)(F)C3)no2)CC1 | nan | |||
CHEMBL3666798 | 135275 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(C)CC(F)(F)C3)no2)CC1 | nan | |||
9930807 | 204379 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL570633 | 204379 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.07.103 | |||
89986736 | 135279 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 420 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
CHEMBL3666801 | 135279 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 420 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
68606925 | 132219 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 5 | 2 | 4 | 4.3 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1 | nan | |||
CHEMBL3646135 | 132219 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 5 | 2 | 4 | 4.3 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1 | nan | |||
9908945 | 199841 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL522388 | 199841 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
68059308 | 132229 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 487 | 5 | 1 | 6 | 5.6 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)ccc21 | nan | |||
CHEMBL3646145 | 132229 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 487 | 5 | 1 | 6 | 5.6 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)ccc21 | nan | |||
9957190 | 204991 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 489 | 4 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL575214 | 204991 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 489 | 4 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
68594586 | 132231 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 4.6 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Oc2cc(Cl)ccn2)CC1 | nan | |||
CHEMBL3646147 | 132231 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 4.6 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Oc2cc(Cl)ccn2)CC1 | nan | |||
44583541 | 200080 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL524085 | 200080 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
10786956 | 34570 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137086 | 34570 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2n1 | 10.1021/jm000269t | |||
9882119 | 125342 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.5 | Cc1nc(N2CCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL341563 | 125342 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.5 | Cc1nc(N2CCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
89986726 | 135269 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 434 | 7 | 2 | 6 | 4.1 | CC(C)(c1ccccc1)c1noc(N[C@H]2CC[C@H](CNS(=O)(=O)C(C)(C)C)CC2)n1 | nan | |||
CHEMBL3666792 | 135269 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 434 | 7 | 2 | 6 | 4.1 | CC(C)(c1ccccc1)c1noc(N[C@H]2CC[C@H](CNS(=O)(=O)C(C)(C)C)CC2)n1 | nan | |||
10052173 | 64347 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | 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 | 64347 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | 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 | |||
44271202 | 65907 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL16986 | 65907 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
68601090 | 132217 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1 | nan | |||
CHEMBL3646133 | 132217 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1 | nan | |||
23442592 | 176116 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1ncc(C(=O)c2ccccc2C)s1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL441850 | 176116 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1ncc(C(=O)c2ccccc2C)s1 | 10.1016/j.bmcl.2005.05.009 | |||
44271382 | 105303 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL276283 | 105303 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
71458603 | 88122 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 3 | 1 | 5 | 3.4 | O=S(=O)(c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1)C(F)(F)F | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159166 | 88122 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 3 | 1 | 5 | 3.4 | O=S(=O)(c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1)C(F)(F)F | 10.1016/j.bmcl.2012.09.025 | |||
70675731 | 135267 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 397 | 7 | 2 | 7 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | |||
CHEMBL3666790 | 135267 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 397 | 7 | 2 | 7 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | |||
89986749 | 135272 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.4 | CC1(c2noc(N[C@H]3CC[C@H](CNS(=O)(=O)C(C)(C)C)CC3)n2)CC(F)(F)C1 | nan | |||
CHEMBL3666795 | 135272 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.4 | CC1(c2noc(N[C@H]3CC[C@H](CNS(=O)(=O)C(C)(C)C)CC3)n2)CC(F)(F)C1 | nan | |||
71458605 | 88127 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(C)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159171 | 88127 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(C)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
70675705 | 135257 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
CHEMBL3666781 | 135257 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
18004997 | 199866 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL522540 | 199866 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
18004997 | 199866 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL522540 | 199866 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44583539 | 200203 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4Cl)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL526084 | 200203 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4Cl)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
9908374 | 194526 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL495580 | 194526 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
9869232 | 194822 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(C(F)(F)F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL497641 | 194822 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(C(F)(F)F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
18004896 | 194013 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL492568 | 194013 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
71462130 | 88126 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(Cl)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159170 | 88126 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(Cl)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
23442647 | 73929 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL187607 | 73929 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 | 10.1016/j.bmcl.2005.05.009 | |||
44271207 | 105684 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL279309 | 105684 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
70675727 | 135262 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | |||
CHEMBL3666786 | 135262 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | |||
70675709 | 135261 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
CHEMBL3666785 | 135261 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | |||
18004939 | 200019 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL523715 | 200019 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
18004939 | 200019 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL523715 | 200019 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
11349780 | 206505 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 3 | 1 | 7 | 2.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL593465 | 206505 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 3 | 1 | 7 | 2.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
44271385 | 67326 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17590 | 67326 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
70675730 | 135265 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 384 | 6 | 2 | 6 | 2.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(Cl)c3)no2)CC1 | nan | |||
CHEMBL3666789 | 135265 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 384 | 6 | 2 | 6 | 2.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(Cl)c3)no2)CC1 | nan | |||
70675732 | 135268 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 6 | 2 | 7 | 3.0 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | |||
CHEMBL3666791 | 135268 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 6 | 2 | 7 | 3.0 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | |||
10927348 | 176164 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 6.2 | CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL442182 | 176164 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 6.2 | CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
9889156 | 199386 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(Cl)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL521545 | 199386 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(Cl)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
11407098 | 206849 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL595790 | 206849 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
18004955 | 194348 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL494593 | 194348 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
18004955 | 194348 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL494593 | 194348 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
12108781 | 194469 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL495201 | 194469 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
12108781 | 194469 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL495201 | 194469 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44583438 | 199384 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL521537 | 199384 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
135543802 | 210822 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 6 | 3 | 5 | 4.0 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(O)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL69881 | 210822 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 6 | 3 | 5 | 4.0 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(O)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
10926406 | 20815 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 357 | 5 | 1 | 3 | 5.3 | CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL119743 | 20815 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 357 | 5 | 1 | 3 | 5.3 | CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
11111992 | 117366 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL325486 | 117366 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
44583540 | 194817 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL497621 | 194817 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44461023 | 212438 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.1 | O=C(C1CCOC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81994 | 212438 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.1 | O=C(C1CCOC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44379101 | 126705 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 543 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)C(O)(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL349486 | 126705 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 543 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)C(O)(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
44344243 | 120092 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 12 | 4 | 6 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)CNC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL331551 | 120092 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 12 | 4 | 6 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)CNC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
20616896 | 131824 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccs2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL364386 | 131824 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccs2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
71454972 | 88129 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159174 | 88129 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
70675757 | 135276 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
CHEMBL3666799 | 135276 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
71451430 | 88125 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 389 | 4 | 1 | 5 | 3.1 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(F)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159169 | 88125 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 389 | 4 | 1 | 5 | 3.1 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(F)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
9796081 | 122199 | 2 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 292 | 2 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL335039 | 122199 | 2 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 292 | 2 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
68606301 | 132228 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 467 | 5 | 1 | 5 | 5.4 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | |||
CHEMBL3646144 | 132228 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 467 | 5 | 1 | 5 | 5.4 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | |||
9953800 | 194534 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL495630 | 194534 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44583394 | 194621 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL496196 | 194621 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44583435 | 199938 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)nc1 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL523060 | 199938 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)nc1 | 10.1016/j.bmcl.2009.05.013 | |||
44271223 | 105309 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL276322 | 105309 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
10685135 | 33096 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 3.2 | Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL135883 | 33096 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 3.2 | Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
9953150 | 194687 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nsc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL496621 | 194687 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nsc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
46226641 | 208608 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 405 | 3 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](C(=O)Nc3csc(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL607037 | 208608 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 405 | 3 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](C(=O)Nc3csc(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
44573574 | 199972 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 441 | 5 | 1 | 3 | 4.4 | CCCCc1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL523330 | 199972 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 441 | 5 | 1 | 3 | 4.4 | CCCCc1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | |||
44379095 | 64900 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 4.3 | COc1ccc2c(c1)CC(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL167709 | 64900 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 4.3 | COc1ccc2c(c1)CC(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
44271223 | 105309 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL276322 | 105309 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
18004944 | 205161 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 452 | 3 | 1 | 5 | 3.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL576727 | 205161 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 452 | 3 | 1 | 5 | 3.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44583463 | 200260 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4C(F)(F)F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL526645 | 200260 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4C(F)(F)F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
9952232 | 206748 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL595120 | 206748 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
11491176 | 206822 | 38 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL595573 | 206822 | 38 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
12108783 | 200073 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL524051 | 200073 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44583541 | 200080 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL524085 | 200080 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
1562 | 7686 | 13 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | |||
5312114 | 7686 | 13 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL17645 | 7686 | 13 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL195380 | 7686 | 13 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | |||
44271289 | 175968 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL440647 | 175968 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
71453236 | 88119 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.3 | CC(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159163 | 88119 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.3 | CC(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
70675707 | 135259 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | |||
CHEMBL3666783 | 135259 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | |||
45481798 | 204832 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 451 | 3 | 2 | 4 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL574084 | 204832 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 451 | 3 | 2 | 4 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
1562 | 7686 | 13 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
5312114 | 7686 | 13 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL17645 | 7686 | 13 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL195380 | 7686 | 13 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
9908945 | 199841 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL522388 | 199841 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44573541 | 200094 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 5 | 3 | 5 | 3.5 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL524192 | 200094 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 5 | 3 | 5 | 3.5 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2009.02.035 | |||
44271284 | 64863 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL16740 | 64863 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
44271317 | 67185 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17502 | 67185 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
44271385 | 67326 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17590 | 67326 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
71458604 | 88124 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 4.3 | CC(C)(C(F)(F)F)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159168 | 88124 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 4.3 | CC(C)(C(F)(F)F)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
70675779 | 135270 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 384 | 5 | 2 | 6 | 2.8 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | |||
CHEMBL3666793 | 135270 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 384 | 5 | 2 | 6 | 2.8 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | |||
68605769 | 132224 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 5 | 2 | 6 | 4.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)ccc21 | nan | |||
CHEMBL3646140 | 132224 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 5 | 2 | 6 | 4.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)ccc21 | nan | |||
68606747 | 132225 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 4.9 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccn4)CC3)cc2)C[C@@H](C)O1 | nan | |||
CHEMBL3646141 | 132225 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 4.9 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccn4)CC3)cc2)C[C@@H](C)O1 | nan | |||
9802119 | 203860 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL567495 | 203860 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
9802118 | 205692 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL584526 | 205692 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
9908890 | 206564 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL593934 | 206564 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | |||
18004985 | 199834 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL522321 | 199834 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44271207 | 105684 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL279309 | 105684 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
46912808 | 132211 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.5 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(F)n1 | nan | |||
CHEMBL3646127 | 132211 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.5 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(F)n1 | nan | |||
44580050 | 190983 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL483251 | 190983 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
44401591 | 75672 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 587 | 8 | 3 | 7 | 5.1 | Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL192266 | 75672 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 587 | 8 | 3 | 7 | 5.1 | Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
23442776 | 132576 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL364796 | 132576 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
89986718 | 135280 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
CHEMBL3666802 | 135280 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | |||
10565529 | 123508 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL337427 | 123508 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
9796164 | 103731 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 294 | 1 | 1 | 1 | 4.9 | Clc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL266241 | 103731 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 294 | 1 | 1 | 1 | 4.9 | Clc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
9823032 | 194650 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 413 | 2 | 2 | 4 | 3.3 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)N1 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL496392 | 194650 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 413 | 2 | 2 | 4 | 3.3 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)N1 | 10.1016/j.bmcl.2009.05.013 | |||
9979057 | 193848 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 2 | 1 | 3 | 6.1 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL491229 | 193848 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 2 | 1 | 3 | 6.1 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
9887225 | 193927 | 3 | None | - | 1 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL491930 | 193927 | 3 | None | - | 1 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
9887225 | 193927 | 3 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL491930 | 193927 | 3 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
9952231 | 206599 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL594163 | 206599 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
44271267 | 105562 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL278280 | 105562 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
9926566 | 34800 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137259 | 34800 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
68616467 | 132222 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.5 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1ccon1 | nan | |||
CHEMBL3646138 | 132222 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.5 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1ccon1 | nan | |||
68607021 | 132227 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 5 | 5.8 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | |||
CHEMBL3646143 | 132227 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 5 | 5.8 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | |||
44580708 | 194634 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 375 | 3 | 1 | 4 | 4.4 | CC(C)Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL496326 | 194634 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 375 | 3 | 1 | 4 | 4.4 | CC(C)Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
45481809 | 204802 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL573860 | 204802 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
9933356 | 203838 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL567310 | 203838 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
9952815 | 203867 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL567527 | 203867 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
9953802 | 204420 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL570864 | 204420 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
11224238 | 205747 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL585107 | 205747 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
11633103 | 205758 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL585203 | 205758 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
44583436 | 194533 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1cccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)c1 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL495625 | 194533 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1cccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)c1 | 10.1016/j.bmcl.2009.05.013 | |||
44583559 | 194652 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL496399 | 194652 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
9952815 | 203867 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL567527 | 203867 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
70682529 | 83685 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cncc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070156 | 83685 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cncc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
70675752 | 135281 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CC(F)(F)C3)no2)CC1 | nan | |||
CHEMBL3666803 | 135281 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CC(F)(F)C3)no2)CC1 | nan | |||
9955287 | 203839 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL567318 | 203839 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
9886573 | 194759 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 2 | 2 | 4 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL497211 | 194759 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 2 | 2 | 4 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
70688845 | 83672 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.3 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070143 | 83672 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.3 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
70684604 | 83687 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070158 | 83687 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
10757242 | 35325 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.6 | CCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
CHEMBL137638 | 35325 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.6 | CCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
44580667 | 194746 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 364 | 2 | 1 | 6 | 3.1 | O=C1OC2(CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL497152 | 194746 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 364 | 2 | 1 | 6 | 3.1 | O=C1OC2(CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
44580666 | 194801 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 397 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL497570 | 194801 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 397 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
10186456 | 110190 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL3084802 | 110190 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44312780 | 110189 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL3084801 | 110189 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
9924627 | 199854 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 3 | 1 | 2 | 4.4 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL522489 | 199854 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 3 | 1 | 2 | 4.4 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
9850107 | 17784 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 3.4 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL117400 | 17784 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 3.4 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
44344497 | 110220 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 10 | 2 | 5 | 5.1 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL3084895 | 110220 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 10 | 2 | 5 | 5.1 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
44271355 | 66426 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17214 | 66426 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | |||
3087469 | 35020 | 4 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 4 | 2.8 | Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137404 | 35020 | 4 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 4 | 2.8 | Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10664487 | 37449 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 298 | 2 | 1 | 4 | 4.0 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccs3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL139483 | 37449 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 298 | 2 | 1 | 4 | 4.0 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccs3)cc2n1 | 10.1021/jm000269t | |||
44313331 | 211639 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.9 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL75662 | 211639 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.9 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
10295464 | 212480 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL82374 | 212480 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10257065 | 19659 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL1188887 | 19659 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL537634 | 19659 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 | 10.1021/jm049599u | |||
44271556 | 105212 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 444 | 6 | 1 | 3 | 5.2 | O=S(=O)(c1cccc2ccccc12)N1CCC(CNCc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL275610 | 105212 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 444 | 6 | 1 | 3 | 5.2 | O=S(=O)(c1cccc2ccccc12)N1CCC(CNCc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(00)00177-3 | |||
44377690 | 64922 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCCC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)C2 | 10.1016/s0960-894x(02)00002-1 | |||
CHEMBL167926 | 64922 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCCC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)C2 | 10.1016/s0960-894x(02)00002-1 | |||
25067562 | 190977 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL483239 | 190977 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | |||
44579862 | 193652 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL489609 | 193652 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | |||
44390110 | 168471 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 328 | 5 | 1 | 5 | 4.3 | COc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL413359 | 168471 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 328 | 5 | 1 | 5 | 4.3 | COc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
44580502 | 199687 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 336 | 1 | 0 | 5 | 4.0 | O=C1OC2(CCN(c3nc4ccccc4s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL522213 | 199687 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 336 | 1 | 0 | 5 | 4.0 | O=C1OC2(CCN(c3nc4ccccc4s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
10481364 | 19761 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 1 | 5 | 5.3 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm049599u | |||
CHEMBL1189619 | 19761 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 1 | 5 | 5.3 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm049599u | |||
CHEMBL539084 | 19761 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 1 | 5 | 5.3 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm049599u | |||
10616756 | 33055 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 298 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(C3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | |||
CHEMBL135831 | 33055 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 298 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(C3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | |||
45481639 | 205231 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL577358 | 205231 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44379410 | 64883 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 535 | 10 | 3 | 6 | 3.5 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(Cl)c3C)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL167558 | 64883 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 535 | 10 | 3 | 6 | 3.5 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(Cl)c3C)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
44344312 | 110200 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 4.8 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL3084871 | 110200 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 4.8 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
44344356 | 110206 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 4.6 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL3084877 | 110206 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 4.6 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
9810707 | 176194 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL442399 | 176194 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
20616889 | 73706 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccs2)n1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL186620 | 73706 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccs2)n1 | 10.1016/j.bmcl.2005.05.009 | |||
23442542 | 73908 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 445 | 10 | 2 | 7 | 3.5 | COc1cccc(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL187507 | 73908 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 445 | 10 | 2 | 7 | 3.5 | COc1cccc(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
10325002 | 19911 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
CHEMBL1190573 | 19911 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
CHEMBL541121 | 19911 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
10457755 | 55201 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 3.5 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL155553 | 55201 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 3.5 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
70688846 | 83673 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070144 | 83673 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
44580710 | 194938 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 362 | 2 | 2 | 5 | 2.3 | NC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL498594 | 194938 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 362 | 2 | 2 | 5 | 2.3 | NC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
22934120 | 104033 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)nc1 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL268810 | 104033 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)nc1 | 10.1016/s0960-894x(02)00090-2 | |||
22934115 | 210319 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL6646 | 210319 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
10519637 | 35301 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 282 | 2 | 1 | 4 | 3.5 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccco3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137619 | 35301 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 282 | 2 | 1 | 4 | 3.5 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccco3)cc2n1 | 10.1021/jm000269t | |||
22257113 | 109691 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 499 | 5 | 2 | 4 | 4.4 | O=C(NC1=NC2CCc3cc(Cl)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL306099 | 109691 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 499 | 5 | 2 | 4 | 4.4 | O=C(NC1=NC2CCc3cc(Cl)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
71519169 | 92950 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 4.6 | CCS(=O)(=O)c1ccc2[nH]c(Cc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312078 | 92950 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 4.6 | CCS(=O)(=O)c1ccc2[nH]c(Cc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
10256047 | 19590 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 5.9 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 | 10.1021/jm049599u | |||
CHEMBL1188309 | 19590 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 5.9 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 | 10.1021/jm049599u | |||
CHEMBL536045 | 19590 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 5.9 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 | 10.1021/jm049599u | |||
44312965 | 110267 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 5 | 4.6 | Nc1cc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL308508 | 110267 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 5 | 4.6 | Nc1cc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44289816 | 170875 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.1 | O=C(Cc1ccccc1)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL42096 | 170875 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.1 | O=C(Cc1ccccc1)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
44288395 | 169351 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | 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 | 169351 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | 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 | |||
11783658 | 117389 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 373 | 2 | 1 | 3 | 4.5 | CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc21 | 10.1021/jm011125x | |||
CHEMBL325639 | 117389 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 373 | 2 | 1 | 3 | 4.5 | CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc21 | 10.1021/jm011125x | |||
44344608 | 110227 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 2 | 4 | 4.9 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 | 10.1021/jm990468g | |||
CHEMBL3084904 | 110227 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 2 | 4 | 4.9 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 | 10.1021/jm990468g | |||
71518852 | 92935 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 366 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312063 | 92935 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 366 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
10071200 | 57041 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 6 | 3 | 6 | 2.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL157157 | 57041 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 6 | 3 | 6 | 2.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
10547234 | 125575 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 335 | 5 | 2 | 4 | 4.4 | CCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL342153 | 125575 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 335 | 5 | 2 | 4 | 4.4 | CCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44401626 | 78129 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 5.2 | O=S(=O)(NCC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL195810 | 78129 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 5.2 | O=S(=O)(NCC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
11284878 | 71117 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(N[C@H]2CC[C@@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL181217 | 71117 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(N[C@H]2CC[C@@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
10779946 | 123454 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc2cc(-c3ccccc3)[nH]c2c(N2CCCCC2)n1 | 10.1021/jm000269t | |||
CHEMBL337105 | 123454 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc2cc(-c3ccccc3)[nH]c2c(N2CCCCC2)n1 | 10.1021/jm000269t | |||
44308516 | 174586 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 3.9 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL430604 | 174586 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 3.9 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
10916153 | 211765 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.5 | CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | |||
CHEMBL76627 | 211765 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.5 | CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | |||
11824961 | 211949 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL78265 | 211949 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
9857217 | 103840 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL267193 | 103840 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
22934114 | 104139 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL269561 | 104139 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
44461107 | 176014 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL441059 | 176014 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44379089 | 64915 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 501 | 10 | 3 | 6 | 2.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(C)c3)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL167860 | 64915 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 501 | 10 | 3 | 6 | 2.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(C)c3)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
44580747 | 194839 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 3.2 | CC(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL497786 | 194839 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 3.2 | CC(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
44573448 | 194048 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(Cl)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL492779 | 194048 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(Cl)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
10614625 | 123423 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 306 | 2 | 0 | 4 | 3.9 | Cc1nc(N2CCCCC2)c2c(cc(-c3ccccc3)n2C)n1 | 10.1021/jm000269t | |||
CHEMBL336985 | 123423 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 306 | 2 | 0 | 4 | 3.9 | Cc1nc(N2CCCCC2)c2c(cc(-c3ccccc3)n2C)n1 | 10.1021/jm000269t | |||
10959714 | 211741 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 374 | 6 | 1 | 2 | 6.0 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)Cc1ccccc1 | 10.1021/jm0004547 | |||
CHEMBL76478 | 211741 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 374 | 6 | 1 | 2 | 6.0 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)Cc1ccccc1 | 10.1021/jm0004547 | |||
10455186 | 20698 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 390 | 4 | 1 | 5 | 3.1 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL1196451 | 20698 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 390 | 4 | 1 | 5 | 3.1 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL556999 | 20698 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 390 | 4 | 1 | 5 | 3.1 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
44390156 | 70274 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 6.2 | O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)s1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL179979 | 70274 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 6.2 | O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)s1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2005.01.063 | |||
10481215 | 19598 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1cccc2c1-c1ccccc1C2=O | 10.1021/jm049599u | |||
CHEMBL1188388 | 19598 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1cccc2c1-c1ccccc1C2=O | 10.1021/jm049599u | |||
CHEMBL536275 | 19598 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1cccc2c1-c1ccccc1C2=O | 10.1021/jm049599u | |||
44583437 | 194564 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)cc1 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL495828 | 194564 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)cc1 | 10.1016/j.bmcl.2009.05.013 | |||
44390067 | 70245 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 339 | 4 | 1 | 6 | 4.7 | Cc1cc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL179848 | 70245 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 339 | 4 | 1 | 6 | 4.7 | Cc1cc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | |||
10738836 | 34803 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 348 | 2 | 1 | 4 | 5.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4s3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137260 | 34803 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 348 | 2 | 1 | 4 | 5.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4s3)cc2n1 | 10.1021/jm000269t | |||
22325344 | 199919 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.2 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL522913 | 199919 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.2 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
44377916 | 63938 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 10 | 2 | 6 | 3.6 | COc1ccc2c(c1OC)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
CHEMBL164748 | 63938 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 10 | 2 | 6 | 3.6 | COc1ccc2c(c1OC)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
44289833 | 172908 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 495 | 6 | 3 | 4 | 3.5 | CC(C)(C)NC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL42611 | 172908 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 495 | 6 | 3 | 4 | 3.5 | CC(C)(C)NC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
10573317 | 126027 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL343564 | 126027 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cc2n1 | 10.1021/jm000269t | |||
10520484 | 172142 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 294 | 2 | 1 | 5 | 2.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cnccn3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL423720 | 172142 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 294 | 2 | 1 | 5 | 2.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cnccn3)cc2n1 | 10.1021/jm000269t | |||
44580505 | 194882 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL498197 | 194882 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
20556258 | 70539 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 4 | 1 | 7 | 2.9 | COc1cc2nc(N3CCC(N4Cc5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL18016 | 70539 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 4 | 1 | 7 | 2.9 | COc1cc2nc(N3CCC(N4Cc5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | |||
44370270 | 54818 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 9 | 3 | 5 | 6.8 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL155048 | 54818 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 9 | 3 | 5 | 6.8 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | |||
44313078 | 211605 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N(C)C)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL75369 | 211605 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N(C)C)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44370250 | 57860 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 6 | 3 | 6 | 2.8 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL157905 | 57860 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 6 | 3 | 6 | 2.8 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
10253263 | 76266 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.4 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | |||
CHEMBL193382 | 76266 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.4 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | |||
10883239 | 176490 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 373 | 2 | 1 | 5 | 2.5 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
CHEMBL443809 | 176490 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 373 | 2 | 1 | 5 | 2.5 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
9824246 | 174558 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL430414 | 174558 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00449-8 | |||
9824246 | 174558 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL430414 | 174558 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44579864 | 199875 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 386 | 2 | 1 | 6 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5nnco5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL522609 | 199875 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 386 | 2 | 1 | 6 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5nnco5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
44460811 | 170121 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 5.3 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)-c2ccccc2Sc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL419104 | 170121 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 5.3 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)-c2ccccc2Sc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461003 | 212390 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 476 | 5 | 1 | 4 | 6.5 | CC(=O)C1(c2ccccc2)CCC(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81621 | 212390 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 476 | 5 | 1 | 4 | 6.5 | CC(=O)C1(c2ccccc2)CCC(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44460943 | 212391 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 2 | 5 | 5.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81636 | 212391 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 2 | 5 | 5.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2004.03.014 | |||
44461201 | 212641 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 3.7 | COCCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL83748 | 212641 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 3.7 | COCCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
71451429 | 88116 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(C3CN(c4ccccc4)CCO3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159160 | 88116 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(C3CN(c4ccccc4)CCO3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
10830247 | 35019 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccn3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137403 | 35019 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccn3)cc2n1 | 10.1021/jm000269t | |||
10810223 | 125557 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 4.0 | COc1ccc(CCc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
CHEMBL341993 | 125557 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 4.0 | COc1ccc(CCc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
10047390 | 211749 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.8 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL76512 | 211749 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.8 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44460881 | 212144 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 7 | 2 | 5 | 5.4 | O=C(CCN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL79815 | 212144 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 7 | 2 | 5 | 5.4 | O=C(CCN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
11284878 | 77216 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL194602 | 77216 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
10736625 | 125959 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 2 | 3 | 4.5 | Cc1nc(NCc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL343102 | 125959 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 2 | 3 | 4.5 | Cc1nc(NCc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10007341 | 126843 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 126843 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | |||
10007341 | 126843 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 126843 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | |||
44289698 | 179860 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 6 | 2 | 4 | 5.3 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL45199 | 179860 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 6 | 2 | 4 | 5.3 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
70695681 | 85130 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | |||
CHEMBL2110162 | 85130 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | |||
10849420 | 126000 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.5 | Cc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
CHEMBL343394 | 126000 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.5 | Cc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
12822578 | 67128 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 67128 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | |||
44573567 | 194248 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL494018 | 194248 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
44573606 | 199444 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccncc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL521862 | 199444 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccncc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
44573449 | 199912 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(C(F)(F)F)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL522866 | 199912 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(C(F)(F)F)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
10617610 | 35401 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(F)c2n1 | 10.1021/jm000269t | |||
CHEMBL137711 | 35401 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(F)c2n1 | 10.1021/jm000269t | |||
44580503 | 194547 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 320 | 1 | 1 | 5 | 2.6 | O=C1OC2(CCN(c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL495725 | 194547 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 320 | 1 | 1 | 5 | 2.6 | O=C1OC2(CCN(c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
1284592 | 112599 | 43 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 4.7 | Fc1ccc(-c2csc(Nc3ccccc3)n2)cc1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL312711 | 112599 | 43 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 4.7 | Fc1ccc(-c2csc(Nc3ccccc3)n2)cc1 | 10.1016/j.bmcl.2004.03.014 | |||
44313092 | 174831 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N(C)C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL432352 | 174831 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N(C)C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
10959285 | 211839 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 358 | 4 | 1 | 2 | 5.1 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1Cc2ccccc2C1 | 10.1021/jm0004547 | |||
CHEMBL77208 | 211839 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 358 | 4 | 1 | 2 | 5.1 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1Cc2ccccc2C1 | 10.1021/jm0004547 | |||
11068453 | 109933 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 6 | 3 | 3 | 4.7 | C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | |||
CHEMBL308046 | 109933 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 6 | 3 | 3 | 4.7 | C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | |||
44390111 | 69560 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 4.9 | O=C(c1cnc(Nc2ccc(Cl)cc2)s1)c1ccccc1F | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL178412 | 69560 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 4.9 | O=C(c1cnc(Nc2ccc(Cl)cc2)s1)c1ccccc1F | 10.1016/j.bmcl.2005.01.063 | |||
17965215 | 35223 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.7 | Cc1nc2cc(-c3ccccc3)nc-2c(N2C(C)CCCC2C)[nH]1 | 10.1021/jm000269t | |||
CHEMBL137538 | 35223 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.7 | Cc1nc2cc(-c3ccccc3)nc-2c(N2C(C)CCCC2C)[nH]1 | 10.1021/jm000269t | |||
44580665 | 200140 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4c(-c5ccccc5)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL524988 | 200140 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4c(-c5ccccc5)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
44573647 | 199975 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cncc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL523339 | 199975 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cncc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
44460473 | 212365 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81427 | 212365 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
44461159 | 212457 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 429 | 7 | 1 | 6 | 4.6 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(OC)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL82196 | 212457 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 429 | 7 | 1 | 6 | 4.6 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(OC)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44289834 | 175465 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL43659 | 175465 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
23442779 | 133074 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2nc(C(=O)c3ccccc3C)cs2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL365021 | 133074 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2nc(C(=O)c3ccccc3C)cs2)c1 | 10.1016/j.bmcl.2005.05.009 | |||
44271382 | 105303 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL276283 | 105303 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
71454970 | 88115 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159159 | 88115 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
10094963 | 19648 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.4 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL1188798 | 19648 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.4 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL537412 | 19648 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.4 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | |||
10645275 | 126075 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 3 | 1 | 3 | 4.8 | Cc1nc(N2CCCCC2)c2nc(Cc3cccc(C(F)(F)F)c3)cc-2[nH]1 | 10.1021/jm000269t | |||
CHEMBL343924 | 126075 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 3 | 1 | 3 | 4.8 | Cc1nc(N2CCCCC2)c2nc(Cc3cccc(C(F)(F)F)c3)cc-2[nH]1 | 10.1021/jm000269t | |||
44289857 | 108084 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 514 | 7 | 3 | 3 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Nc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL296557 | 108084 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 514 | 7 | 3 | 3 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Nc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
44370180 | 54071 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 6 | 3 | 5 | 3.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL154412 | 54071 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 6 | 3 | 5 | 3.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
44313061 | 109920 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL307901 | 109920 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
10498644 | 33342 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(COc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | |||
CHEMBL136093 | 33342 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(COc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | |||
44460788 | 212085 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.9 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL79301 | 212085 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.9 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44460922 | 212718 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 415 | 6 | 1 | 6 | 3.7 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL84269 | 212718 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 415 | 6 | 1 | 6 | 3.7 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44573656 | 193992 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 460 | 4 | 0 | 3 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL492393 | 193992 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 460 | 4 | 0 | 3 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
13152287 | 212435 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 282 | 0 | 1 | 4 | 4.5 | Nc1nc2c(s1)-c1ccccc1Sc1ccccc1-2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81979 | 212435 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 282 | 0 | 1 | 4 | 4.5 | Nc1nc2c(s1)-c1ccccc1Sc1ccccc1-2 | 10.1016/j.bmcl.2004.03.014 | |||
10303307 | 71250 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 7 | 2 | 6 | 5.8 | CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL181393 | 71250 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 7 | 2 | 6 | 5.8 | CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
9924211 | 199422 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 344 | 1 | 1 | 5 | 3.1 | N#Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL521720 | 199422 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 344 | 1 | 1 | 5 | 3.1 | N#Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
44460707 | 112598 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL312710 | 112598 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44344454 | 110213 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 9 | 2 | 4 | 5.4 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | |||
CHEMBL3084885 | 110213 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 9 | 2 | 4 | 5.4 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | |||
10403909 | 71318 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 323 | 4 | 1 | 5 | 4.1 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL181458 | 71318 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 323 | 4 | 1 | 5 | 4.1 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
2350190 | 58631 | 6 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL1585484 | 58631 | 6 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.07.020 | |||
2350190 | 58631 | 6 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL1585484 | 58631 | 6 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.11.005 | |||
10805667 | 34960 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CC(C)CC(C)C2)[nH]1 | 10.1021/jm000269t | |||
CHEMBL137360 | 34960 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CC(C)CC(C)C2)[nH]1 | 10.1021/jm000269t | |||
44377476 | 126814 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 8 | 2 | 4 | 3.9 | Cc1ccc2c(c1)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
CHEMBL350379 | 126814 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 8 | 2 | 4 | 3.9 | Cc1ccc2c(c1)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
71458602 | 88117 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 397 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCC(=O)N(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159161 | 88117 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 397 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCC(=O)N(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
44313576 | 112263 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.3 | Cc1cc(C(=O)Nc2cccc3c2CCCC3)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL312086 | 112263 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.3 | Cc1cc(C(=O)Nc2cccc3c2CCCC3)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
9981738 | 20718 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.8 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL1196600 | 20718 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.8 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL557583 | 20718 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.8 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
44580709 | 200118 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 3.4 | CCOC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL524644 | 200118 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 3.4 | CCOC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
18005004 | 204625 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(OC)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL572431 | 204625 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(OC)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
10970192 | 17804 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1cccc2c3cc(NC(=O)N4CCOCC4)ccc3n(C(C)C)c12 | 10.1021/jm011125x | |||
CHEMBL117563 | 17804 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1cccc2c3cc(NC(=O)N4CCOCC4)ccc3n(C(C)C)c12 | 10.1021/jm011125x | |||
10969955 | 117365 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL325475 | 117365 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
9862646 | 170239 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 337 | 2 | 1 | 3 | 4.2 | CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
CHEMBL419951 | 170239 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 337 | 2 | 1 | 3 | 4.2 | CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
9908946 | 204024 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL568370 | 204024 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
45487538 | 205721 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4CF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL584815 | 205721 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4CF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
9908946 | 204024 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL568370 | 204024 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
46226607 | 206600 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL594164 | 206600 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
18004891 | 200067 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 2.5 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL524029 | 200067 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 2.5 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | |||
9946965 | 199851 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL522456 | 199851 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
44461200 | 111059 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 8 | 2 | 6 | 3.3 | COCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL309967 | 111059 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 8 | 2 | 6 | 3.3 | COCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44460988 | 112404 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL312362 | 112404 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10111792 | 112759 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.7 | COCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL313087 | 112759 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.7 | COCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461051 | 112905 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.1 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL313454 | 112905 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.1 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461022 | 174803 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL432169 | 174803 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10272418 | 212371 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.7 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81484 | 212371 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.7 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10226374 | 212383 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 3.4 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81586 | 212383 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 3.4 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44460919 | 212453 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 4 | 2 | 5 | 4.8 | COC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL82158 | 212453 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 4 | 2 | 5 | 4.8 | COC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461180 | 212738 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 4.5 | O=C(C1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL84453 | 212738 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 4.5 | O=C(C1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44271276 | 66729 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17327 | 66729 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | |||
44573705 | 194347 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL494592 | 194347 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
9930851 | 203976 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL568144 | 203976 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
44579888 | 193651 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 454 | 2 | 1 | 6 | 5.4 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL489608 | 193651 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 454 | 2 | 1 | 6 | 5.4 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
9930851 | 203976 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL568144 | 203976 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
22660756 | 206910 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL596264 | 206910 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
46226628 | 208146 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL604480 | 208146 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
44573705 | 194347 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL494592 | 194347 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
11491176 | 206822 | 38 | None | - | 1 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL595573 | 206822 | 38 | None | - | 1 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
11407098 | 206849 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL595790 | 206849 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
10662967 | 32513 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 276 | 2 | 1 | 3 | 3.3 | Cc1nc(N2CC=CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL135262 | 32513 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 276 | 2 | 1 | 3 | 3.3 | Cc1nc(N2CC=CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44580223 | 190980 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 1 | 1 | 6 | 3.6 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL483244 | 190980 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 1 | 1 | 6 | 3.6 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
45481804 | 204629 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL572451 | 204629 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
45487589 | 203584 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL565624 | 203584 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
45487576 | 205532 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL583007 | 205532 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | |||
45487628 | 205723 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL584902 | 205723 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
44583506 | 200152 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL525173 | 200152 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44579846 | 193801 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 2 | 1 | 3 | 6.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL490824 | 193801 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 2 | 1 | 3 | 6.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
44579862 | 193852 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL491239 | 193852 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | |||
46226653 | 206880 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL596025 | 206880 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
46226580 | 208634 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL607144 | 208634 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
15940921 | 206819 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL595560 | 206819 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
68605776 | 132226 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 386 | 6 | 1 | 4 | 4.7 | N#Cc1ccccc1O[C@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CC1 | nan | |||
CHEMBL3646142 | 132226 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 386 | 6 | 1 | 4 | 4.7 | N#Cc1ccccc1O[C@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CC1 | nan | |||
22934132 | 211401 | 9 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL7342 | 211401 | 9 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
45487530 | 205712 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL584732 | 205712 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
44583557 | 194528 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL495594 | 194528 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44579810 | 193645 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 394 | 2 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL489587 | 193645 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 394 | 2 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
15940921 | 206819 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL595560 | 206819 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
44271373 | 66313 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17165 | 66313 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | |||
44271317 | 67185 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17502 | 67185 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
44303643 | 207922 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 5.0 | COc1ccc(-c2cc(NC(=O)CC34CCCC3Cc3ccccc3C4)[nH]n2)cc1OC | 10.1021/jm980521l | |||
CHEMBL60319 | 207922 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 5.0 | COc1ccc(-c2cc(NC(=O)CC34CCCC3Cc3ccccc3C4)[nH]n2)cc1OC | 10.1021/jm980521l | |||
12071667 | 194800 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL497569 | 194800 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
9825886 | 204834 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL574088 | 204834 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
45481807 | 205235 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL577372 | 205235 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
9887225 | 193927 | 3 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL491930 | 193927 | 3 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44583462 | 199958 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL523228 | 199958 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44579825 | 193849 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.5 | O=C(c1ccccc1)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL491230 | 193849 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.5 | O=C(c1ccccc1)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
44579826 | 193877 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccn5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL491427 | 193877 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccn5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
46226636 | 206716 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL594888 | 206716 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
46226627 | 206749 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL595121 | 206749 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
45481800 | 205287 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ncccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL577794 | 205287 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ncccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
70693071 | 83689 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 419 | 3 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070160 | 83689 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 419 | 3 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | |||
9908890 | 206597 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL594156 | 206597 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | |||
44401616 | 76808 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NCC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL193970 | 76808 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NCC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
45481641 | 204627 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 477 | 4 | 1 | 4 | 4.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL572442 | 204627 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 477 | 4 | 1 | 4 | 4.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
45487632 | 203618 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL565826 | 203618 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
10477251 | 181420 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 1 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL455815 | 181420 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 1 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
44271373 | 66313 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17165 | 66313 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | |||
44271289 | 175968 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL440647 | 175968 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
71519170 | 92951 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 390 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(C(=O)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312079 | 92951 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 390 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(C(=O)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
20587808 | 194635 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL496327 | 194635 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
18004934 | 204962 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 3.2 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL574996 | 204962 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 3.2 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | |||
45487631 | 203586 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL565626 | 203586 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | |||
46226612 | 208527 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL606631 | 208527 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | |||
10133076 | 200035 | 3 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.1 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL523819 | 200035 | 3 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.1 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
70695118 | 83675 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070146 | 83675 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
9895868 | 76357 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL193438 | 76357 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
9895868 | 19671 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL1188966 | 19671 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL537846 | 19671 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
45481811 | 204928 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cscn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL574771 | 204928 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cscn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
46226575 | 208640 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL607192 | 208640 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
10314778 | 70746 | 1 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 333 | 5 | 1 | 5 | 4.6 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL180692 | 70746 | 1 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 333 | 5 | 1 | 5 | 4.6 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
44271355 | 66426 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17214 | 66426 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | |||
71519165 | 92945 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312073 | 92945 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
68615948 | 132215 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.8 | N#Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1 | nan | |||
CHEMBL3646131 | 132215 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.8 | N#Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1 | nan | |||
68605737 | 132223 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 397 | 5 | 2 | 5 | 4.2 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Nc2cccc(F)n2)CC1 | nan | |||
CHEMBL3646139 | 132223 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 397 | 5 | 2 | 5 | 4.2 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Nc2cccc(F)n2)CC1 | nan | |||
1562 | 7686 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
5312114 | 7686 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL17645 | 7686 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL195380 | 7686 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
45487565 | 205802 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL585851 | 205802 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmcl.2009.07.103 | |||
44583556 | 194527 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL495593 | 194527 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
45487565 | 205802 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL585851 | 205802 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
46226635 | 206911 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL596266 | 206911 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | |||
1562 | 7686 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | |||
5312114 | 7686 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL17645 | 7686 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL195380 | 7686 | 13 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | |||
9867212 | 111672 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL311229 | 111672 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
44271267 | 105562 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL278280 | 105562 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
60197259 | 92947 | 1 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)nc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312075 | 92947 | 1 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)nc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
10831203 | 126231 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 4.2 | CCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL345082 | 126231 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 4.2 | CCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44580745 | 200188 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 2.6 | CNC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL525908 | 200188 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 2.6 | CNC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
44312754 | 110188 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 6 | 3 | 6 | 4.3 | Nc1ccccc1S(=O)(=O)NCC1CCC(c2cc(N)n(-c3ccc(C(F)(F)F)cc3)n2)CC1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL3084800 | 110188 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 6 | 3 | 6 | 4.3 | Nc1ccccc1S(=O)(=O)NCC1CCC(c2cc(N)n(-c3ccc(C(F)(F)F)cc3)n2)CC1 | 10.1016/s0960-894x(01)00448-6 | |||
22934129 | 210865 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc2c(c1)CCCc1nc(-c3ccncc3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL7017 | 210865 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc2c(c1)CCCc1nc(-c3ccncc3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | |||
44583505 | 194823 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL497644 | 194823 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44579806 | 193767 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 1 | 1 | 4 | 4.2 | N#Cc1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL490608 | 193767 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 1 | 1 | 4 | 4.2 | N#Cc1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
44460681 | 212178 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.5 | O=C(c1ccccc1F)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL80041 | 212178 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.5 | O=C(c1ccccc1F)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461118 | 212721 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 451 | 6 | 1 | 5 | 5.4 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL84285 | 212721 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 451 | 6 | 1 | 5 | 5.4 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10368454 | 19591 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
CHEMBL1188311 | 19591 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
CHEMBL536048 | 19591 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
10872843 | 109715 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL306277 | 109715 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | |||
10044852 | 139264 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 5.0 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL369763 | 139264 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 5.0 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | |||
44370240 | 54625 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 2.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL154889 | 54625 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 2.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | |||
18004985 | 194017 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL492582 | 194017 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44271463 | 67105 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 6 | 3 | 5 | 3.0 | NCCCCNc1nc(N)c2cc(-c3ccccc3)ccc2n1 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL17441 | 67105 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 6 | 3 | 5 | 3.0 | NCCCCNc1nc(N)c2cc(-c3ccccc3)ccc2n1 | 10.1016/s0960-894x(00)00177-3 | |||
71450852 | 85358 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 8 | 3 | 5 | 2.8 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1=NC2CCc3cc(F)ccc3C2C1 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL2112218 | 85358 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 8 | 3 | 5 | 2.8 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1=NC2CCc3cc(F)ccc3C2C1 | 10.1016/s0960-894x(99)00676-9 | |||
44460704 | 212527 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 6 | 1 | 6 | 4.1 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)COC(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL82710 | 212527 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 6 | 1 | 6 | 4.1 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)COC(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
9934437 | 110217 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 9 | 2 | 3 | 5.2 | C=CCC1c2ccc(F)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
CHEMBL3084890 | 110217 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 9 | 2 | 3 | 5.2 | C=CCC1c2ccc(F)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
11754800 | 19639 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 1 | 5 | 4.1 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL1188721 | 19639 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 1 | 5 | 4.1 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL537191 | 19639 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 1 | 5 | 4.1 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
70697154 | 83681 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070152 | 83681 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
44271460 | 67119 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | 67119 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | 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 | |||
44377734 | 126642 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 8 | 2 | 4 | 4.4 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
CHEMBL348806 | 126642 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 8 | 2 | 4 | 4.4 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
44460868 | 174902 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 513 | 7 | 2 | 6 | 4.6 | CC(C)N1CCN(CC(=O)N[C@H]2CC[C@H](CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL432931 | 174902 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 513 | 7 | 2 | 6 | 4.6 | CC(C)N1CCN(CC(=O)N[C@H]2CC[C@H](CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10451123 | 112396 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 5.0 | Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL312308 | 112396 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 5.0 | Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44460712 | 112288 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL312169 | 112288 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44344259 | 119870 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 542 | 11 | 3 | 5 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL331319 | 119870 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 542 | 11 | 3 | 5 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
9891987 | 108291 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 6 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2ccccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL298037 | 108291 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 6 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2ccccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
71519004 | 92943 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312071 | 92943 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
9949840 | 35506 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 2 | 1 | 3 | 4.5 | Cc1nc(N2CCc3ccccc3C2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137808 | 35506 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 2 | 1 | 3 | 4.5 | Cc1nc(N2CCc3ccccc3C2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10638643 | 123489 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 309 | 2 | 0 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL337305 | 123489 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 309 | 2 | 0 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10970360 | 175293 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 357 | 5 | 0 | 3 | 4.8 | CCn1c2ccccc2c2cc(N(C)C(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL435384 | 175293 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 357 | 5 | 0 | 3 | 4.8 | CCn1c2ccccc2c2cc(N(C)C(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
44390066 | 70606 | 1 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 335 | 5 | 1 | 6 | 4.0 | COc1ccc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)cc1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL180251 | 70606 | 1 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 335 | 5 | 1 | 6 | 4.0 | COc1ccc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)cc1 | 10.1016/j.bmcl.2005.01.063 | |||
11110676 | 16936 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL115911 | 16936 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
44313057 | 109921 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4N)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL307902 | 109921 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4N)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44573614 | 193987 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL492375 | 193987 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44573614 | 193987 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL492375 | 193987 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44460842 | 212320 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 6 | 2 | 5 | 3.5 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)cs2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81000 | 212320 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 6 | 2 | 5 | 3.5 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)cs2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
11757324 | 110195 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 10 | 2 | 5 | 5.2 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL3084865 | 110195 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 10 | 2 | 5 | 5.2 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
10051835 | 20781 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
CHEMBL1197071 | 20781 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
CHEMBL559210 | 20781 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
10860014 | 117396 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.3 | O=C(CCc1ccncc1)Nc1ccc2[nH]c3ccccc3c2c1 | 10.1021/jm011125x | |||
CHEMBL325666 | 117396 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.3 | O=C(CCc1ccncc1)Nc1ccc2[nH]c3ccccc3c2c1 | 10.1021/jm011125x | |||
10519375 | 36164 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.6 | c1ccc(-c2cc3nc[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
CHEMBL138383 | 36164 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.6 | c1ccc(-c2cc3nc[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
10430847 | 211493 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3ncccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL74161 | 211493 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3ncccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44313570 | 175917 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2c(F)cccc2F)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL440310 | 175917 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2c(F)cccc2F)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
9806557 | 176286 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 7 | 3 | 4 | 4.3 | O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL44338 | 176286 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 7 | 3 | 4 | 4.3 | O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
10298981 | 212136 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.3 | CN1CCN(CC(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL79714 | 212136 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.3 | CN1CCN(CC(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44379363 | 64324 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 11 | 3 | 6 | 4.0 | COc1ccc2c(c1)C(O)(CNCCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL166399 | 64324 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 11 | 3 | 6 | 4.0 | COc1ccc2c(c1)C(O)(CNCCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
10935409 | 211854 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 298 | 5 | 1 | 2 | 4.7 | CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL77355 | 211854 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 298 | 5 | 1 | 2 | 4.7 | CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
12078328 | 125561 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 4 | 1 | 4 | 3.8 | COc1ccc(Cc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
CHEMBL342042 | 125561 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 4 | 1 | 4 | 3.8 | COc1ccc(Cc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
9807658 | 71320 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 551 | 8 | 2 | 6 | 6.1 | CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL181466 | 71320 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 551 | 8 | 2 | 6 | 6.1 | CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
44460812 | 212388 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 484 | 7 | 1 | 7 | 4.3 | COc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)CCN4CCCCC4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81611 | 212388 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 484 | 7 | 1 | 7 | 4.3 | COc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)CCN4CCCCC4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
10111849 | 211658 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 4.2 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL75823 | 211658 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 4.2 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
22934130 | 210741 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 290 | 2 | 1 | 2 | 4.2 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL6938 | 210741 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 290 | 2 | 1 | 2 | 4.2 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
71518998 | 92937 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 330 | 6 | 1 | 4 | 3.0 | CCS(=O)(=O)c1ccc2[nH]c(OCCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312065 | 92937 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 330 | 6 | 1 | 4 | 3.0 | CCS(=O)(=O)c1ccc2[nH]c(OCCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
44460798 | 110917 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)c4ccccn4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL309449 | 110917 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)c4ccccn4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
44460830 | 111169 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 6 | 1 | 4 | 4.1 | CN(C)C(=O)CCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL310292 | 111169 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 6 | 1 | 4 | 4.1 | CN(C)C(=O)CCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2004.03.014 | |||
10414854 | 19951 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
CHEMBL1190951 | 19951 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
CHEMBL541891 | 19951 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | |||
9936263 | 108005 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.4 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL296022 | 108005 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.4 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
10831332 | 34764 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 308 | 2 | 2 | 4 | 2.9 | Cc1nc(N2CCC(O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137236 | 34764 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 308 | 2 | 2 | 4 | 2.9 | Cc1nc(N2CCC(O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44580593 | 194639 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL496345 | 194639 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | |||
10810784 | 34360 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3C(F)(F)F)cc2n1 | 10.1021/jm000269t | |||
CHEMBL136944 | 34360 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3C(F)(F)F)cc2n1 | 10.1021/jm000269t | |||
44288067 | 173140 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | 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 | 173140 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | 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 | |||
9799669 | 212589 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL83255 | 212589 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
46226642 | 206565 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL593935 | 206565 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
11753885 | 19638 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 3.8 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL1188718 | 19638 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 3.8 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
CHEMBL537187 | 19638 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 3.8 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 | 10.1021/jm049599u | |||
44289890 | 172987 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.5 | O=C(CN1CC[C@H](NC(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL42658 | 172987 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.5 | O=C(CN1CC[C@H](NC(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
11792487 | 35481 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 2 | 4 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(NCc2ccc(C)o2)[nH]1 | 10.1021/jm000269t | |||
CHEMBL137786 | 35481 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 2 | 4 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(NCc2ccc(C)o2)[nH]1 | 10.1021/jm000269t | |||
44288390 | 168613 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | 168613 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | 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 | |||
44313241 | 211727 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 6.2 | Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL76413 | 211727 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 6.2 | Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44344208 | 20279 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL119355 | 20279 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
44344455 | 110214 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 2 | 4 | 5.2 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1021/jm990468g | |||
CHEMBL3084886 | 110214 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 2 | 4 | 5.2 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1021/jm990468g | |||
11143423 | 18415 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 4 | 1 | 4 | 4.6 | CCOc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
CHEMBL118098 | 18415 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 4 | 1 | 4 | 4.6 | CCOc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
44573532 | 194241 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 392 | 4 | 1 | 4 | 4.0 | COC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL493997 | 194241 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 392 | 4 | 1 | 4 | 4.0 | COC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
1305 | 7299 | 14 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | |||
9934033 | 7299 | 14 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL182150 | 7299 | 14 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | |||
44370177 | 175981 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 6 | 3 | 5 | 4.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL440735 | 175981 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 6 | 3 | 5 | 4.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
10498512 | 35445 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.6 | CCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137758 | 35445 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.6 | CCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
22325323 | 200189 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL525918 | 200189 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
10159053 | 212147 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL79849 | 212147 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44379102 | 165564 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL409418 | 165564 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
9892202 | 179361 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 7 | 2 | 4 | 3.9 | O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL44886 | 179361 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 7 | 2 | 4 | 3.9 | O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
44370266 | 53036 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 549 | 6 | 3 | 5 | 4.2 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL153522 | 53036 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 549 | 6 | 3 | 5 | 4.2 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
10666064 | 36047 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 3 | 1 | 4 | 3.7 | CN(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL138278 | 36047 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 3 | 1 | 4 | 3.7 | CN(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
11811424 | 211754 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.4 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(=N/c1ccc(Cc2ccccc2)cc1)NC#N | 10.1021/jm0004547 | |||
CHEMBL76549 | 211754 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.4 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(=N/c1ccc(Cc2ccccc2)cc1)NC#N | 10.1021/jm0004547 | |||
10617383 | 33994 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 3 | 2 | 4 | 3.7 | CNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL136650 | 33994 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 3 | 2 | 4 | 3.7 | CNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44312955 | 211276 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 422 | 5 | 2 | 5 | 4.4 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL72547 | 211276 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 422 | 5 | 2 | 5 | 4.4 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44460883 | 112403 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 5 | 5.0 | O=C(CN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL312361 | 112403 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 5 | 5.0 | O=C(CN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44460964 | 170418 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CN(C)CCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL420399 | 170418 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CN(C)CCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10903122 | 211706 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.3 | COc1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL76265 | 211706 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.3 | COc1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1 | 10.1021/jm0004547 | |||
44313494 | 111525 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 5 | 1 | 3 | 6.0 | Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL310694 | 111525 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 5 | 1 | 3 | 6.0 | Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
10807285 | 34528 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2C)[nH]1 | 10.1021/jm000269t | |||
CHEMBL137058 | 34528 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2C)[nH]1 | 10.1021/jm000269t | |||
68595241 | 132221 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 4 | 2 | 4 | 4.2 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | |||
CHEMBL3646137 | 132221 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 4 | 2 | 4 | 4.2 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | |||
44573743 | 194468 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL495200 | 194468 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44573704 | 200071 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL524044 | 200071 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
18004938 | 205238 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL577398 | 205238 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
11824465 | 17104 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 4.4 | CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL116210 | 17104 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 4.4 | CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
9884833 | 117329 | 41 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
CHEMBL325226 | 117329 | 41 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
11002751 | 174869 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 355 | 2 | 1 | 3 | 4.4 | CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
CHEMBL432628 | 174869 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 355 | 2 | 1 | 3 | 4.4 | CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
45487608 | 203625 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL565848 | 203625 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
18004920 | 194093 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 478 | 4 | 2 | 4 | 4.1 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL492999 | 194093 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 478 | 4 | 2 | 4 | 4.1 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44573743 | 194468 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL495200 | 194468 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44573704 | 200071 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL524044 | 200071 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44271565 | 104907 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL273597 | 104907 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/j.bmcl.2004.03.014 | |||
44461196 | 111520 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.4 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL310670 | 111520 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.4 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461199 | 212332 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 486 | 7 | 1 | 6 | 4.2 | COC[C@@H]1CCCN1CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81103 | 212332 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 486 | 7 | 1 | 6 | 4.2 | COC[C@@H]1CCCN1CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461018 | 212659 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 4.0 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL83830 | 212659 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 4.0 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
1504 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
1518 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
1521 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
24868177 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
44288922 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
77068007 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
90479759 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
CHEMBL438945 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | |||||
71458606 | 88128 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 401 | 5 | 1 | 6 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(OC)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159172 | 88128 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 401 | 5 | 1 | 6 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(OC)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
91755093 | 135273 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 6 | 2 | 6 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | |||
CHEMBL3666796 | 135273 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 6 | 2 | 6 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | |||
45487630 | 203585 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL565625 | 203585 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
44579827 | 199484 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5cccnc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL521959 | 199484 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5cccnc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
11013840 | 211847 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL77273 | 211847 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
45481642 | 204630 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL572456 | 204630 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
45481801 | 205118 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(OC)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL576333 | 205118 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(OC)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
68597664 | 132218 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 412 | 5 | 2 | 7 | 3.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccon4)CC3)ccc21 | nan | |||
CHEMBL3646134 | 132218 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 412 | 5 | 2 | 7 | 3.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccon4)CC3)ccc21 | nan | |||
18004996 | 204801 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL573858 | 204801 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
25067562 | 193750 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL490427 | 193750 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | |||
44271208 | 170032 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 488 | 6 | 2 | 7 | 2.5 | Cc1cccc(C(O)CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)n1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL418546 | 170032 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 488 | 6 | 2 | 7 | 2.5 | Cc1cccc(C(O)CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)n1 | 10.1016/s0960-894x(02)00113-0 | |||
18004890 | 204664 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL572688 | 204664 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
45481805 | 205160 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 469 | 3 | 1 | 6 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL576726 | 205160 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 469 | 3 | 1 | 6 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44583588 | 199720 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL522237 | 199720 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
10110741 | 194779 | 3 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL497359 | 194779 | 3 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
44583558 | 199838 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL522378 | 199838 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
91755095 | 135278 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 369 | 6 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | |||
CHEMBL3666800 | 135278 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 369 | 6 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | |||
9822252 | 190894 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 3.4 | O=C1NC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL482667 | 190894 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 3.4 | O=C1NC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44379085 | 63954 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 3.9 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL164873 | 63954 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 3.9 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
71519168 | 92949 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.5 | CCS(=O)(=O)c1ccc2[nH]c(O[C@H]3CC[C@H](c4ccccc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312077 | 92949 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.5 | CCS(=O)(=O)c1ccc2[nH]c(O[C@H]3CC[C@H](c4ccccc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
46912713 | 132212 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 441 | 5 | 2 | 5 | 4.0 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)n1 | nan | |||
CHEMBL3646128 | 132212 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 441 | 5 | 2 | 5 | 4.0 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)n1 | nan | |||
44271318 | 105216 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL275642 | 105216 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
45481803 | 204628 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL572450 | 204628 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44583395 | 194622 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(Cl)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL496197 | 194622 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(Cl)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
11509561 | 206506 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL593466 | 206506 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | |||
10613667 | 29827 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 4.2 | Cc1nc(N2CCCCC2)c2oc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL133032 | 29827 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 4.2 | Cc1nc(N2CCCCC2)c2oc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10161870 | 211433 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.0 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(N(C)C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL73643 | 211433 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.0 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(N(C)C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
10154767 | 195051 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 348 | 3 | 1 | 2 | 4.6 | Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL499973 | 195051 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 348 | 3 | 1 | 2 | 4.6 | Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
10414311 | 19584 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 2 | 5 | 4.6 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
CHEMBL1188255 | 19584 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 2 | 5 | 4.6 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
CHEMBL535824 | 19584 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 2 | 5 | 4.6 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
44289909 | 170341 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL42031 | 170341 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
44344633 | 118164 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 330 | 6 | 1 | 3 | 3.9 | O=C(CCc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | |||
CHEMBL327151 | 118164 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 330 | 6 | 1 | 3 | 3.9 | O=C(CCc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | |||
44573565 | 194271 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 349 | 3 | 2 | 3 | 3.8 | Nc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL494174 | 194271 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 349 | 3 | 2 | 3 | 3.8 | Nc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
10433145 | 20748 | 1 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | |||
CHEMBL1196846 | 20748 | 1 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | |||
CHEMBL558393 | 20748 | 1 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | |||
44401671 | 77041 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 587 | 7 | 1 | 7 | 4.9 | CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL194173 | 77041 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 587 | 7 | 1 | 7 | 4.9 | CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
44313039 | 109931 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL308034 | 109931 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44289818 | 175924 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 7 | 2 | 4 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Oc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL44036 | 175924 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 7 | 2 | 4 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Oc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
11204090 | 76611 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(NC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL193771 | 76611 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(NC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
70693068 | 83679 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070150 | 83679 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
44377915 | 63947 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 497 | 8 | 2 | 4 | 4.2 | O=S(=O)(NCCN1CC(CNC2CCCc3ccc(Cl)cc3C2)C1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
CHEMBL164805 | 63947 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 497 | 8 | 2 | 4 | 4.2 | O=S(=O)(NCCN1CC(CNC2CCCc3ccc(Cl)cc3C2)C1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
10848957 | 35261 | 14 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 224 | 1 | 2 | 3 | 2.5 | Cc1nc(N)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137572 | 35261 | 14 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 224 | 1 | 2 | 3 | 2.5 | Cc1nc(N)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10872140 | 60787 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
CHEMBL160595 | 60787 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
71519000 | 92939 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccccc3C(F)(F)F)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312067 | 92939 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccccc3C(F)(F)F)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
10522130 | 35205 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 318 | 3 | 1 | 3 | 4.4 | c1ccc(-c2cc3nc(C4CC4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
CHEMBL137530 | 35205 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 318 | 3 | 1 | 3 | 4.4 | c1ccc(-c2cc3nc(C4CC4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
22934144 | 104009 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL268654 | 104009 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
44573407 | 194234 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 334 | 3 | 1 | 2 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL493971 | 194234 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 334 | 3 | 1 | 2 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
44390147 | 128923 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 376 | 5 | 1 | 4 | 5.7 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL359685 | 128923 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 376 | 5 | 1 | 4 | 5.7 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
44370179 | 171669 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 6 | 3 | 5 | 2.3 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL422150 | 171669 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 6 | 3 | 5 | 2.3 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
10892838 | 19778 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.3 | Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL118973 | 19778 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.3 | Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
10522285 | 123024 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.5 | CCc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
CHEMBL335861 | 123024 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.5 | CCc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
23283651 | 110204 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 10 | 2 | 5 | 6.3 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL3084875 | 110204 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 10 | 2 | 5 | 6.3 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
11014171 | 110880 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 372 | 4 | 1 | 2 | 5.5 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCc2ccccc2C1 | 10.1021/jm0004547 | |||
CHEMBL309370 | 110880 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 372 | 4 | 1 | 2 | 5.5 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCc2ccccc2C1 | 10.1021/jm0004547 | |||
11067876 | 17813 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CNC(=O)Cc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL117626 | 17813 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CNC(=O)Cc3ccncc3)ccc21 | 10.1021/jm011125x | |||
136058111 | 210300 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 7 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL66371 | 210300 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 7 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
11078514 | 211770 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 346 | 6 | 1 | 2 | 5.2 | CN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL76661 | 211770 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 346 | 6 | 1 | 2 | 5.2 | CN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
11003942 | 117175 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 402 | 3 | 1 | 5 | 2.3 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
CHEMBL324366 | 117175 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 402 | 3 | 1 | 5 | 2.3 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
44344734 | 119676 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 348 | 6 | 1 | 4 | 4.0 | O=C(CSc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | |||
CHEMBL331019 | 119676 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 348 | 6 | 1 | 4 | 4.0 | O=C(CSc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | |||
44573607 | 199651 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ncccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL522192 | 199651 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ncccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
44313274 | 211504 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 5.6 | Cc1cc(C(=O)Nc2cccc3ccccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL74252 | 211504 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 5.6 | Cc1cc(C(=O)Nc2cccc3ccccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44313223 | 109669 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 3 | 1 | 3 | 5.2 | Cc1cc(C(=O)Nc2cccc(Br)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL305922 | 109669 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 3 | 1 | 3 | 5.2 | Cc1cc(C(=O)Nc2cccc(Br)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
9903829 | 123459 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | CCN(CC)c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
CHEMBL337152 | 123459 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | CCN(CC)c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
22325346 | 179846 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL451955 | 179846 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
9806525 | 107030 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 8 | 2 | 4 | 3.8 | O=C(Cc1ccccc1)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL288763 | 107030 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 8 | 2 | 4 | 3.8 | O=C(Cc1ccccc1)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
22325338 | 200171 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL525543 | 200171 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
44313042 | 176849 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL444319 | 176849 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44312926 | 211399 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(F)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL73401 | 211399 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(F)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44460713 | 212381 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 405 | 5 | 1 | 6 | 3.2 | COCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81551 | 212381 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 405 | 5 | 1 | 6 | 3.2 | COCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
9805850 | 172924 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 5 | 4.0 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL42620 | 172924 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 5 | 4.0 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | |||
21336511 | 63957 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 63957 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||
44461145 | 212172 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL80006 | 212172 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
70684602 | 83683 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)n3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070154 | 83683 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)n3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
10832634 | 34945 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3c(F)cccc3F)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137350 | 34945 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3c(F)cccc3F)cc2n1 | 10.1021/jm000269t | |||
11825270 | 211734 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 388 | 7 | 1 | 2 | 6.2 | CC(C)C(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL76439 | 211734 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 388 | 7 | 1 | 2 | 6.2 | CC(C)C(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
25881665 | 186624 | 5 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | |||
CHEMBL4745232 | 186624 | 5 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | |||
25881665 | 186624 | 5 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | |||
CHEMBL4745232 | 186624 | 5 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | |||
70693069 | 83682 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070153 | 83682 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
135430853 | 108854 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 4.3 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL1744020 | 108854 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 4.3 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL302126 | 108854 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 4.3 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
44377452 | 126937 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 126937 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||
44579807 | 200057 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 1 | 1 | 3 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL523964 | 200057 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 1 | 1 | 3 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
44573646 | 194046 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)n1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL492766 | 194046 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)n1 | 10.1016/j.bmcl.2009.01.101 | |||
44289827 | 172414 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 5.2 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL42437 | 172414 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 5.2 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00311-5 | |||
10052377 | 19599 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
CHEMBL1188389 | 19599 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
CHEMBL536276 | 19599 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
11035908 | 20799 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1cc2c(c(C)c1NC(=O)N1CCOCC1)c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
CHEMBL119726 | 20799 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1cc2c(c(C)c1NC(=O)N1CCOCC1)c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
44390162 | 71125 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 4 | 1 | 5 | 5.8 | Cc1cc(C(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL181250 | 71125 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 4 | 1 | 5 | 5.8 | Cc1cc(C(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | |||
18004995 | 194085 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 454 | 2 | 2 | 3 | 3.6 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL492986 | 194085 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 454 | 2 | 2 | 3 | 3.6 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44461006 | 110935 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.8 | O=C1CC[C@H](C(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)O1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL309550 | 110935 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.8 | O=C1CC[C@H](C(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)O1 | 10.1016/j.bmcl.2004.03.014 | |||
44460920 | 171472 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.7 | CN(C)CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL421714 | 171472 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.7 | CN(C)CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10139215 | 212447 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 5 | 1 | 5 | 4.6 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL82080 | 212447 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 5 | 1 | 5 | 4.6 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10111791 | 212663 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 4.7 | CCOC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL83860 | 212663 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 4.7 | CCOC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
101138140 | 111661 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm0004547 | |||
10982716 | 111661 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm0004547 | |||
CHEMBL311159 | 111661 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm0004547 | |||
10959710 | 211852 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 374 | 4 | 2 | 3 | 5.2 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1 | 10.1021/jm0004547 | |||
CHEMBL77333 | 211852 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 374 | 4 | 2 | 3 | 5.2 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1 | 10.1021/jm0004547 | |||
71519166 | 92946 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccn4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312074 | 92946 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccn4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
46912902 | 132213 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 2 | 2 | 5.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccccc1 | nan | |||
CHEMBL3646129 | 132213 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 2 | 2 | 5.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccccc1 | nan | |||
68604357 | 132216 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccon1 | nan | |||
CHEMBL3646132 | 132216 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccon1 | nan | |||
9890550 | 199955 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL523205 | 199955 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
45481795 | 205063 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL575858 | 205063 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
9890550 | 199955 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL523205 | 199955 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
9840567 | 209453 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 332 | 3 | 0 | 2 | 5.2 | Cc1cc(N2CCCC2)cc(/C=C/c2cccc(C(F)(F)F)c2)n1 | 10.1021/jm980521l | |||
CHEMBL61488 | 209453 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 332 | 3 | 0 | 2 | 5.2 | Cc1cc(N2CCCC2)cc(/C=C/c2cccc(C(F)(F)F)c2)n1 | 10.1021/jm980521l | |||
45481808 | 205105 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccco4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL576159 | 205105 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccco4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
9887226 | 206883 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL596031 | 206883 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
10018851 | 70644 | 1 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 319 | 4 | 1 | 5 | 4.3 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL180359 | 70644 | 1 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 319 | 4 | 1 | 5 | 4.3 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
89973939 | 135274 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 383 | 5 | 2 | 5 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | |||
CHEMBL3666797 | 135274 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 383 | 5 | 2 | 5 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | |||
56836045 | 88120 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 3.7 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159164 | 88120 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 3.7 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
9923839 | 193819 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL490937 | 193819 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
10293081 | 194020 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 4 | 1 | 4 | 4.2 | O=[N+]([O-])c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL492594 | 194020 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 4 | 1 | 4 | 4.2 | O=[N+]([O-])c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
71518999 | 92938 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 366 | 6 | 1 | 4 | 3.5 | CCS(=O)(=O)c1ccc2[nH]c(OCC(F)(F)c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312066 | 92938 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 366 | 6 | 1 | 4 | 3.5 | CCS(=O)(=O)c1ccc2[nH]c(OCC(F)(F)c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
9952231 | 206599 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL594163 | 206599 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
44271377 | 66031 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17037 | 66031 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
46912987 | 132214 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccccc4)CC3)ccc21 | nan | |||
CHEMBL3646130 | 132214 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccccc4)CC3)ccc21 | nan | |||
45487629 | 205804 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL585854 | 205804 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
44579863 | 193879 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1Cl | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL491436 | 193879 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1Cl | 10.1016/j.bmcl.2008.08.021 | |||
20629114 | 80223 | 47 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2016681 | 80223 | 47 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.09.025 | |||
20629114 | 80223 | 47 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2016681 | 80223 | 47 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.11.005 | |||
9952232 | 206748 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL595120 | 206748 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
44271284 | 64863 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL16740 | 64863 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
44271318 | 105216 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL275642 | 105216 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
22325320 | 190984 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 355 | 1 | 1 | 4 | 3.5 | O=C1OC2(CCN(c3nc4cc(F)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL483252 | 190984 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 355 | 1 | 1 | 4 | 3.5 | O=C1OC2(CCN(c3nc4cc(F)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
44573648 | 179541 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)ccn1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL451113 | 179541 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)ccn1 | 10.1016/j.bmcl.2009.01.101 | |||
10273149 | 194301 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 412 | 3 | 1 | 2 | 5.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Br)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL494398 | 194301 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 412 | 3 | 1 | 2 | 5.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Br)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
45481797 | 205104 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4OC)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL576158 | 205104 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4OC)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44401508 | 76596 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 10 | 2 | 6 | 3.6 | CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL193666 | 76596 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 10 | 2 | 6 | 3.6 | CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.03.052 | |||
56835976 | 87933 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.2 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCN(C)C(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2158014 | 87933 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.2 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCN(C)C(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
44344629 | 117118 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 365 | 2 | 1 | 4 | 3.6 | O=C(Nc1ccc2c(c1)c1ccccc1n2C1CCOC1)N1CCOCC1 | 10.1021/jm011125x | |||
CHEMBL324028 | 117118 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 365 | 2 | 1 | 4 | 3.6 | O=C(Nc1ccc2c(c1)c1ccccc1n2C1CCOC1)N1CCOCC1 | 10.1021/jm011125x | |||
44312981 | 211206 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 418 | 5 | 2 | 5 | 4.5 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL72133 | 211206 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 418 | 5 | 2 | 5 | 4.5 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44461040 | 212103 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.3 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL79500 | 212103 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.3 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
9867212 | 111672 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL311229 | 111672 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
44344352 | 110205 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 4.8 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
CHEMBL3084876 | 110205 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 4.8 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
70695119 | 83678 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070149 | 83678 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
10715854 | 35058 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 3 | 1 | 4 | 4.6 | c1ccc(-c2cc3nc(N4CCCCC4)nc(N4CCCCC4)c3[nH]2)cc1 | 10.1021/jm000269t | |||
CHEMBL137428 | 35058 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 3 | 1 | 4 | 4.6 | c1ccc(-c2cc3nc(N4CCCCC4)nc(N4CCCCC4)c3[nH]2)cc1 | 10.1021/jm000269t | |||
10667094 | 123575 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 5 | 2 | 5 | 2.7 | Cc1nc(NCCN2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL337815 | 123575 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 5 | 2 | 5 | 2.7 | Cc1nc(NCCN2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
70695117 | 83668 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070139 | 83668 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
10642181 | 171941 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
CHEMBL422816 | 171941 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
45481643 | 204835 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 3 | 1 | 6 | 2.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4nccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL574089 | 204835 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 3 | 1 | 6 | 2.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4nccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44460789 | 212086 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 2.9 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL79302 | 212086 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 2.9 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44401460 | 77682 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 7 | 2 | 6 | 2.5 | CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL195123 | 77682 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 7 | 2 | 6 | 2.5 | CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
71519001 | 92940 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312068 | 92940 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
44370176 | 58366 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 6 | 3 | 5 | 3.8 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL158344 | 58366 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 6 | 3 | 5 | 3.8 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | |||
10644957 | 126115 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1 | 10.1021/jm000269t | |||
CHEMBL344228 | 126115 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1 | 10.1021/jm000269t | |||
10421577 | 210675 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1[nH]c(-c2ccccc2)nc1-c1cccnc1 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL6893 | 210675 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1[nH]c(-c2ccccc2)nc1-c1cccnc1 | 10.1016/s0960-894x(02)00090-2 | |||
44573616 | 199891 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL522702 | 199891 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44313596 | 112633 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 4 | 5.4 | Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL312748 | 112633 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 4 | 5.4 | Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44312927 | 109860 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 2 | 7 | 3.3 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL307462 | 109860 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 2 | 7 | 3.3 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
10497816 | 34461 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3F)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137008 | 34461 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3F)cc2n1 | 10.1021/jm000269t | |||
44573531 | 199978 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 4.5 | CC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL523364 | 199978 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 4.5 | CC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
70693067 | 83671 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 3 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070142 | 83671 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 3 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
11110677 | 17820 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c21 | 10.1021/jm011125x | |||
CHEMBL117684 | 17820 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c21 | 10.1021/jm011125x | |||
23283666 | 110203 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 582 | 10 | 2 | 4 | 6.9 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1ccccc1 | 10.1021/jm990468g | |||
CHEMBL3084874 | 110203 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 582 | 10 | 2 | 4 | 6.9 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1ccccc1 | 10.1021/jm990468g | |||
11727519 | 60546 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 339 | 6 | 2 | 2 | 4.7 | O=C(CCCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
CHEMBL160389 | 60546 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 339 | 6 | 2 | 2 | 4.7 | O=C(CCCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
10596340 | 122271 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2n1 | 10.1021/jm000269t | |||
CHEMBL335145 | 122271 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2n1 | 10.1021/jm000269t | |||
44377450 | 62352 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 62352 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | |||
44579809 | 200053 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 1 | 1 | 3 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL523943 | 200053 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 1 | 1 | 3 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
18735143 | 170279 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL42020 | 170279 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | |||
10429613 | 170118 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL419086 | 170118 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
11001068 | 211849 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 300 | 4 | 3 | 3 | 3.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(O)cc1 | 10.1021/jm0004547 | |||
CHEMBL77311 | 211849 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 300 | 4 | 3 | 3 | 3.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(O)cc1 | 10.1021/jm0004547 | |||
22934131 | 103812 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL266904 | 103812 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
10833009 | 35108 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 4 | 1 | 3 | 4.8 | CC(C)Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137464 | 35108 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 4 | 1 | 3 | 4.8 | CC(C)Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44390369 | 71384 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 9 | 1 | 7 | 5.9 | CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL181727 | 71384 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 9 | 1 | 7 | 5.9 | CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
70695116 | 83667 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 300 | 4 | 1 | 3 | 3.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070138 | 83667 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 300 | 4 | 1 | 3 | 3.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
10005032 | 65996 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL17022 | 65996 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00177-3 | |||
44579808 | 180139 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL452726 | 180139 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
9967563 | 194434 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cncnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL495036 | 194434 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cncnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
11002935 | 58846 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
CHEMBL158732 | 58846 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
44370214 | 53781 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 547 | 9 | 3 | 5 | 5.7 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL154168 | 53781 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 547 | 9 | 3 | 5 | 5.7 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | |||
10517831 | 122134 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)nc2n1 | 10.1021/jm000269t | |||
CHEMBL334960 | 122134 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)nc2n1 | 10.1021/jm000269t | |||
44390499 | 136435 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 6.0 | CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL367355 | 136435 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 6.0 | CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
10496226 | 34859 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 324 | 3 | 1 | 4 | 4.3 | CSc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137296 | 34859 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 324 | 3 | 1 | 4 | 4.3 | CSc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44313099 | 109857 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 5.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc5ccccc45)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL307458 | 109857 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 5.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc5ccccc45)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44370215 | 175834 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 6 | 3 | 5 | 2.9 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL439638 | 175834 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 6 | 3 | 5 | 2.9 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
71519332 | 92952 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 5.2 | CCS(=O)(=O)c1ccc2[nH]c(C(F)(F)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312080 | 92952 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 5.2 | CCS(=O)(=O)c1ccc2[nH]c(C(F)(F)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
44287999 | 169266 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | 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 | 169266 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | 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 | |||
44312707 | 211726 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.8 | CNc1cc(-c2ccc(NS(=O)(=O)c3ccc(N(C)C)cc3)cc2)nn1-c1ccc(C)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL76411 | 211726 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.8 | CNc1cc(-c2ccc(NS(=O)(=O)c3ccc(N(C)C)cc3)cc2)nn1-c1ccc(C)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44580504 | 199959 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 333 | 2 | 1 | 4 | 3.2 | O=C1OC2(CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL523235 | 199959 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 333 | 2 | 1 | 4 | 3.2 | O=C1OC2(CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
45481806 | 204631 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 460 | 2 | 1 | 5 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nc4cc(Cl)ccc4o3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL572460 | 204631 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 460 | 2 | 1 | 5 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nc4cc(Cl)ccc4o3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
18004942 | 194295 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 420 | 2 | 2 | 3 | 2.9 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3Cl)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL494346 | 194295 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 420 | 2 | 2 | 3 | 2.9 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3Cl)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
44460453 | 110952 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL309685 | 110952 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
9867212 | 111672 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL311229 | 111672 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
44461116 | 113913 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL316153 | 113913 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
44460972 | 212171 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 413 | 4 | 1 | 4 | 5.0 | O=C1CCCN1[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL80003 | 212171 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 413 | 4 | 1 | 4 | 5.0 | O=C1CCCN1[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44344468 | 110216 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 3 | 4 | 4.7 | C=CCC1c2ccc(O)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
CHEMBL3084889 | 110216 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 3 | 4 | 4.7 | C=CCC1c2ccc(O)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
44344599 | 117170 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL324311 | 117170 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | |||
11133371 | 211930 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 410 | 6 | 2 | 3 | 5.7 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL78109 | 211930 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 410 | 6 | 2 | 3 | 5.7 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 | 10.1021/jm0004547 | |||
44579887 | 199872 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL522589 | 199872 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | |||
11792636 | 35867 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.0 | Cc1nc(N2CCCCC2)c2nc(CCc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | |||
CHEMBL138118 | 35867 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.0 | Cc1nc(N2CCCCC2)c2nc(CCc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | |||
45481799 | 204833 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL574085 | 204833 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
46226606 | 208622 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
CHEMBL607088 | 208622 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | |||
9947469 | 194047 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Cl)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL492778 | 194047 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Cl)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
23442561 | 74333 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccc(F)c2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL189810 | 74333 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccc(F)c2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
22325333 | 191106 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4c(Cl)cc(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL484268 | 191106 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4c(Cl)cc(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
9866472 | 194651 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 414 | 2 | 1 | 5 | 3.8 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)O1 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL496393 | 194651 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 414 | 2 | 1 | 5 | 3.8 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)O1 | 10.1016/j.bmcl.2009.05.013 | |||
22934124 | 168554 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 260 | 1 | 1 | 1 | 4.2 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)cc1 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL414020 | 168554 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 260 | 1 | 1 | 1 | 4.2 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)cc1 | 10.1016/s0960-894x(02)00090-2 | |||
25211875 | 199428 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL521750 | 199428 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | |||
10098098 | 19697 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4=O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
CHEMBL1189130 | 19697 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4=O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
CHEMBL538079 | 19697 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4=O)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
9984570 | 19855 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL1190216 | 19855 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL540365 | 19855 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 | 10.1021/jm049599u | |||
44580546 | 194912 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4c(F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL498396 | 194912 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4c(F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
10981271 | 211887 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL77719 | 211887 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
11068838 | 110357 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL308625 | 110357 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
22325347 | 194864 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL497972 | 194864 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
44573534 | 199858 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 364 | 4 | 1 | 3 | 4.3 | COc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL522513 | 199858 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 364 | 4 | 1 | 3 | 4.3 | COc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
10640471 | 35930 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 334 | 3 | 1 | 4 | 4.1 | CC(=O)c1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
CHEMBL138172 | 35930 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 334 | 3 | 1 | 4 | 4.1 | CC(=O)c1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
9905079 | 35297 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 4.1 | Cc1nc2cc(-c3ccccc3)nc-2c(N(C)Cc2ccco2)[nH]1 | 10.1021/jm000269t | |||
CHEMBL137613 | 35297 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 4.1 | Cc1nc2cc(-c3ccccc3)nc-2c(N(C)Cc2ccco2)[nH]1 | 10.1021/jm000269t | |||
44263876 | 103786 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.9 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL266637 | 103786 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.9 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CC2 | 10.1016/s0960-894x(02)00090-2 | |||
44377691 | 63920 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 8 | 3 | 5 | 4.0 | Nc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
CHEMBL164586 | 63920 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 8 | 3 | 5 | 4.0 | Nc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
9871208 | 185463 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.2 | O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL46799 | 185463 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.2 | O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
44313224 | 109803 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL306993 | 109803 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
10572176 | 34953 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.8 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2CN(C)C)[nH]1 | 10.1021/jm000269t | |||
CHEMBL137356 | 34953 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.8 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2CN(C)C)[nH]1 | 10.1021/jm000269t | |||
10688707 | 35056 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(C)c2n1 | 10.1021/jm000269t | |||
CHEMBL137427 | 35056 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(C)c2n1 | 10.1021/jm000269t | |||
9889267 | 105654 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL279073 | 105654 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00018-5 | |||
44344283 | 19724 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 13 | 2 | 5 | 4.9 | COc1ccc2c(c1)CCC(NCCCCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
CHEMBL118931 | 19724 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 13 | 2 | 5 | 4.9 | COc1ccc2c(c1)CCC(NCCCCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1 | 10.1021/jm990468g | |||
9889267 | 105654 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL279073 | 105654 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | |||
136058109 | 108932 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 6 | 2 | 4 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(Cl)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL302584 | 108932 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 6 | 2 | 4 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(Cl)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | |||
22054806 | 194233 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 2 | 4.0 | c1ccc(C2=NC(c3ccccc3)(c3ccccc3)CN2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL493970 | 194233 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 2 | 4.0 | c1ccc(C2=NC(c3ccccc3)(c3ccccc3)CN2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
9902517 | 194272 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccs3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL494175 | 194272 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccs3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
10437616 | 67285 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL175657 | 67285 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL557817 | 67285 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 | 10.1021/jm049599u | |||
10590336 | 126185 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 300 | 3 | 2 | 3 | 4.7 | Cc1nc(Nc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL344692 | 126185 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 300 | 3 | 2 | 3 | 4.7 | Cc1nc(Nc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10518886 | 126201 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 3.6 | COc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL344844 | 126201 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 3.6 | COc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44377722 | 63969 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 63969 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | |||
10254802 | 134003 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 5 | 1 | 6 | 5.2 | COc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4oc5ccccc5c4c3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
CHEMBL365777 | 134003 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 5 | 1 | 6 | 5.2 | COc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4oc5ccccc5c4c3)CC1)C(=O)OC2 | 10.1021/jm049599u | |||
44580748 | 194670 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 3 | 2 | 6 | 2.6 | CS(=O)(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL496537 | 194670 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 3 | 2 | 6 | 2.6 | CS(=O)(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
44379364 | 64891 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)CC(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL167621 | 64891 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)CC(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | |||
10639971 | 35412 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 4.7 | Cc1nc(-c2ccsc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137724 | 35412 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 4.7 | Cc1nc(-c2ccsc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
9880873 | 199974 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL523338 | 199974 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
44390385 | 129294 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 2 | 6 | 6.4 | CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL360117 | 129294 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 2 | 6 | 6.4 | CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
10685661 | 125964 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 264 | 2 | 1 | 3 | 3.1 | Cc1nc(N2CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL343153 | 125964 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 264 | 2 | 1 | 3 | 3.1 | Cc1nc(N2CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
136058112 | 210510 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 4.3 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL67768 | 210510 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 4.3 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
44263987 | 211097 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 3.0 | c1ccc2c(c1)CCCc1nc(-c3c[nH]cn3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL7147 | 211097 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 3.0 | c1ccc2c(c1)CCCc1nc(-c3c[nH]cn3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | |||
44313495 | 211592 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1ccccc1NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL75163 | 211592 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1ccccc1NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/s0960-894x(01)00449-8 | |||
70695121 | 83691 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cn(-c4ccccc4)ccc3=O)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070162 | 83691 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cn(-c4ccccc4)ccc3=O)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
44580746 | 194838 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 2 | 1 | 5 | 2.9 | CN(C)C(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL497785 | 194838 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 2 | 1 | 5 | 2.9 | CN(C)C(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
10714258 | 126056 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 370 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1 | 10.1021/jm000269t | |||
CHEMBL343766 | 126056 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 370 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1 | 10.1021/jm000269t | |||
2821670 | 175235 | 2 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL435036 | 175235 | 2 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1016/j.bmcl.2009.02.035 | |||
44573533 | 194242 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 3.8 | OCc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL493998 | 194242 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 3.8 | OCc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
10833804 | 125920 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 346 | 2 | 1 | 3 | 4.6 | FC(F)(F)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL342818 | 125920 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 346 | 2 | 1 | 3 | 4.6 | FC(F)(F)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44460907 | 111143 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 427 | 6 | 2 | 4 | 5.3 | O=C(CC1CC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL310119 | 111143 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 427 | 6 | 2 | 4 | 5.3 | O=C(CC1CC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461208 | 111522 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 442 | 7 | 2 | 5 | 4.1 | O=C(CNCC1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL310674 | 111522 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 442 | 7 | 2 | 5 | 4.1 | O=C(CNCC1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44460957 | 212087 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CCCN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL79308 | 212087 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CCCN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461198 | 212125 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 5.7 | CCCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL79659 | 212125 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 5.7 | CCCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461210 | 212126 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 7 | 2 | 6 | 3.9 | O=C(CNCC1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL79663 | 212126 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 7 | 2 | 6 | 3.9 | O=C(CNCC1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44460963 | 212333 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 4.4 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81104 | 212333 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 4.4 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44461179 | 212436 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)C1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81982 | 212436 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)C1CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10295464 | 212480 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL82374 | 212480 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
9827743 | 173164 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 3.9 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL42762 | 173164 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 3.9 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
9955865 | 130456 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1nc(C(=O)c2ccccc2C)cs1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL362131 | 130456 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1nc(C(=O)c2ccccc2C)cs1 | 10.1016/j.bmcl.2005.05.009 | |||
45481810 | 205314 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ccccc4n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL578013 | 205314 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ccccc4n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44583507 | 194850 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL497839 | 194850 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
44271231 | 67202 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17513 | 67202 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
10294504 | 193990 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(C(F)(F)F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL492388 | 193990 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(C(F)(F)F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
22934136 | 173887 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL429006 | 173887 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
70684601 | 83670 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070141 | 83670 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
22934142 | 211105 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL7149 | 211105 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
22934118 | 211444 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL7370 | 211444 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | |||
9885994 | 211877 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL77639 | 211877 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
22325336 | 195737 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL508271 | 195737 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
44580100 | 193702 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL490008 | 193702 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
71454969 | 88113 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 5 | 2 | 5 | 2.9 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCNC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
CHEMBL2159157 | 88113 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 5 | 2 | 5 | 2.9 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCNC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | |||
9825755 | 210273 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 5 | 2 | 4 | 3.8 | O=C(NC1=NC2CCc3ccccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL66168 | 210273 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 5 | 2 | 4 | 3.8 | O=C(NC1=NC2CCc3ccccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
10459583 | 19673 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.7 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
CHEMBL1188975 | 19673 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.7 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
CHEMBL537858 | 19673 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.7 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | |||
10571295 | 125930 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.6 | CC(=O)N1CCN(c2[nH]c(C)nc3cc(-c4ccccc4)nc2-3)CC1 | 10.1021/jm000269t | |||
CHEMBL342918 | 125930 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.6 | CC(=O)N1CCN(c2[nH]c(C)nc3cc(-c4ccccc4)nc2-3)CC1 | 10.1021/jm000269t | |||
71519333 | 92953 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.1 | CCS(=O)(=O)c1ccc2[nH]c(C3(c4ccc(-c5ccccc5)cc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312081 | 92953 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.1 | CCS(=O)(=O)c1ccc2[nH]c(C3(c4ccc(-c5ccccc5)cc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
70697152 | 83674 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3)[nH]c2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070145 | 83674 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3)[nH]c2c1 | 10.1016/j.bmcl.2012.07.020 | |||
44461116 | 113913 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL316153 | 113913 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | |||
44264067 | 210818 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 262 | 1 | 1 | 2 | 3.7 | c1ccc(-c2nc3c([nH]2)CCOc2ccccc2-3)cc1 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL6985 | 210818 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 262 | 1 | 1 | 2 | 3.7 | c1ccc(-c2nc3c([nH]2)CCOc2ccccc2-3)cc1 | 10.1016/s0960-894x(02)00090-2 | |||
44313510 | 110582 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL309055 | 110582 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44312968 | 211659 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 5 | 2 | 5 | 5.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL75827 | 211659 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 5 | 2 | 5 | 5.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
9998721 | 71149 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 5.4 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL181304 | 71149 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 5.4 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
44573408 | 199436 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3Cl)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL521844 | 199436 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3Cl)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
23442539 | 130862 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL363279 | 130862 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 | 10.1016/j.bmcl.2005.05.009 | |||
10589936 | 34796 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 3.2 | CCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
CHEMBL137258 | 34796 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 3.2 | CCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | |||
44377731 | 64216 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 64216 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | |||
44379411 | 127245 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 523 | 10 | 3 | 6 | 3.3 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CC2 | 10.1016/s0960-894x(02)00018-5 | |||
CHEMBL354111 | 127245 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 523 | 10 | 3 | 6 | 3.3 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CC2 | 10.1016/s0960-894x(02)00018-5 | |||
10808680 | 34851 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 326 | 2 | 1 | 3 | 4.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3Cl)cc2n1 | 10.1021/jm000269t | |||
CHEMBL137290 | 34851 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 326 | 2 | 1 | 3 | 4.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3Cl)cc2n1 | 10.1021/jm000269t | |||
44312956 | 109944 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 5.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL308110 | 109944 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 5.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
10645176 | 34621 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 372 | 4 | 1 | 4 | 5.2 | Cc1nc(N2CCCCC2)c2nc(CSc3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
CHEMBL137125 | 34621 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 372 | 4 | 1 | 4 | 5.2 | Cc1nc(N2CCCCC2)c2nc(CSc3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
44313486 | 211551 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 471 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(I)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL74777 | 211551 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 471 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(I)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44377440 | 64225 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 64225 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | |||
44377661 | 126695 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 12 | 2 | 7 | 4.3 | CCOC(=O)COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
CHEMBL349386 | 126695 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 12 | 2 | 7 | 4.3 | CCOC(=O)COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | |||
44287971 | 170221 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | 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 | 170221 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | 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 | |||
9969726 | 212367 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.6 | CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81442 | 212367 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.6 | CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
9799669 | 212589 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL83255 | 212589 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10324940 | 20614 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1021/jm049599u | |||
CHEMBL1195875 | 20614 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1021/jm049599u | |||
CHEMBL555513 | 20614 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1021/jm049599u | |||
10969955 | 117365 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL325475 | 117365 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
1639804 | 20144 | 11 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.7 | CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
CHEMBL119247 | 20144 | 11 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.7 | CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
44460467 | 171336 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL421521 | 171336 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44460946 | 212324 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 5.1 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81024 | 212324 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 5.1 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10295464 | 212480 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL82374 | 212480 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
23283663 | 110194 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 9 | 3 | 5 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(O)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | |||
CHEMBL3084864 | 110194 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 9 | 3 | 5 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(O)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | |||
45481640 | 204689 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL572909 | 204689 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
71519003 | 92942 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312070 | 92942 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
9880835 | 194433 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL495034 | 194433 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
22934127 | 168577 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1cncc(-c2nc3c([nH]2)-c2ccccc2CCC3)c1 | 10.1016/s0960-894x(02)00090-2 | |||
CHEMBL414205 | 168577 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1cncc(-c2nc3c([nH]2)-c2ccccc2CCC3)c1 | 10.1016/s0960-894x(02)00090-2 | |||
44573575 | 193984 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL492371 | 193984 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
45487535 | 204017 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
CHEMBL568337 | 204017 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | |||
44573575 | 193984 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL492371 | 193984 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
70693070 | 83688 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 407 | 3 | 1 | 5 | 4.0 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
CHEMBL2070159 | 83688 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 407 | 3 | 1 | 5 | 4.0 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | |||
10096226 | 70270 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
CHEMBL179972 | 70270 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | |||
21956072 | 199899 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 2 | 1 | 5 | 4.1 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL522768 | 199899 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 2 | 1 | 5 | 4.1 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | |||
10051692 | 51363 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 3 | 5 | 3.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL152016 | 51363 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 3 | 5 | 3.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | |||
10025916 | 70040 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3cc(F)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | |||
CHEMBL179154 | 70040 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3cc(F)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | |||
44583560 | 199423 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
CHEMBL521723 | 199423 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | |||
10971233 | 211812 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 5.5 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(S)=N/c1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL77010 | 211812 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 5.5 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(S)=N/c1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
10958843 | 117995 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL326491 | 117995 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
44312687 | 211429 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 2 | 7 | 3.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4c[n+](C(F)(F)F)ccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL73619 | 211429 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 2 | 7 | 3.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4c[n+](C(F)(F)F)ccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44460506 | 112187 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.0 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL311824 | 112187 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.0 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
11079077 | 211731 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 366 | 6 | 1 | 2 | 6.3 | CC(CC1CCCCC1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL76422 | 211731 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 366 | 6 | 1 | 2 | 6.3 | CC(CC1CCCCC1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
11089837 | 17792 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1c(NC(=O)N2CCOCC2)cc(C)c2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
CHEMBL117469 | 17792 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1c(NC(=O)N2CCOCC2)cc(C)c2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
44377461 | 62353 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 62353 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
10637486 | 34354 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 2.3 | Cc1nc(N2CCNCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL136940 | 34354 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 2.3 | Cc1nc(N2CCNCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10667042 | 32787 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 4 | 2 | 4 | 3.7 | Cc1nc(N2CCCCC2CCO)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL135485 | 32787 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 4 | 2 | 4 | 3.7 | Cc1nc(N2CCCCC2CCO)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10641357 | 35246 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 310 | 7 | 2 | 4 | 3.7 | CCOCCCNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
CHEMBL137557 | 35246 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 310 | 7 | 2 | 4 | 3.7 | CCOCCCNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
10642052 | 121904 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CCC1CCCCN1c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
CHEMBL334373 | 121904 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CCC1CCCCN1c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
44580547 | 200259 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL526641 | 200259 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | |||
12018680 | 171462 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL421695 | 171462 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44377689 | 64856 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 64856 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
44344244 | 110193 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 4.7 | C=CCC1c2ccc(F)cc2CCC1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
CHEMBL3084863 | 110193 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 4.7 | C=CCC1c2ccc(F)cc2CCC1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | |||
9871512 | 173172 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.2 | COc1ccc2c(c1)CCC(NC(=O)CN1CCC(n3c(O)nc4ccccc43)CC1)C2Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
CHEMBL42768 | 173172 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.2 | COc1ccc2c(c1)CCC(NC(=O)CN1CCC(n3c(O)nc4ccccc43)CC1)C2Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | |||
11795098 | 123192 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 397 | 4 | 2 | 4 | 4.9 | O=C(Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1)c1ccccc1 | 10.1021/jm000269t | |||
CHEMBL336029 | 123192 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 397 | 4 | 2 | 4 | 4.9 | O=C(Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1)c1ccccc1 | 10.1021/jm000269t | |||
10549405 | 37231 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 3 | 1 | 5 | 2.0 | Cc1nc(N2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL139270 | 37231 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 3 | 1 | 5 | 2.0 | Cc1nc(N2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10948789 | 110356 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 375 | 7 | 1 | 3 | 4.6 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL308623 | 110356 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 375 | 7 | 1 | 3 | 4.6 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
44288112 | 106984 | 1 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | 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 | 106984 | 1 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | 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 | |||
44313496 | 211593 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL75193 | 211593 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1 | 10.1016/s0960-894x(01)00449-8 | |||
44313228 | 211394 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 4 | 1 | 4 | 5.2 | Cc1cc(C(=O)Nc2ccccc2-n2cccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL73351 | 211394 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 4 | 1 | 4 | 5.2 | Cc1cc(C(=O)Nc2ccccc2-n2cccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
44401578 | 19733 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 6 | 1 | 6 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL1189371 | 19733 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 6 | 1 | 6 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL538569 | 19733 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 6 | 1 | 6 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 | 10.1021/jm049599u | |||
10926986 | 19401 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.4 | CC(C)c1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
CHEMBL118710 | 19401 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.4 | CC(C)c1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | |||
44287938 | 107186 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 107186 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | 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 | |||
10893873 | 20388 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.7 | CC(C)(C)Cn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
CHEMBL119426 | 20388 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.7 | CC(C)(C)Cn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | |||
44460815 | 212031 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 416 | 4 | 2 | 5 | 3.0 | CC(=O)NC1CCN(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL78901 | 212031 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 416 | 4 | 2 | 5 | 3.0 | CC(=O)NC1CCN(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
44401552 | 172685 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 5.5 | O=S(=O)(NCC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL425012 | 172685 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 5.5 | O=S(=O)(NCC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
10500401 | 34592 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 9 | 2 | 3 | 5.9 | CCCCCC(CC)CNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
CHEMBL137102 | 34592 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 9 | 2 | 3 | 5.9 | CCCCCC(CC)CNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | |||
10737530 | 126199 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)ccc3F)cc2n1 | 10.1021/jm000269t | |||
CHEMBL344820 | 126199 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)ccc3F)cc2n1 | 10.1021/jm000269t | |||
12018679 | 211383 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
CHEMBL73251 | 211383 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | |||
44377460 | 59509 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 59509 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
11015360 | 18064 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 6 | 1 | 5 | 3.4 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
CHEMBL117922 | 18064 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 6 | 1 | 5 | 3.4 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | |||
44579845 | 199902 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL522788 | 199902 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
10347241 | 20704 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 4 | 2 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
CHEMBL1196486 | 20704 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 4 | 2 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
CHEMBL557172 | 20704 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 4 | 2 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
10971892 | 109950 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 7 | 1 | 2 | 6.9 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(Cc1ccccc1)c1ccccc1 | 10.1021/jm0004547 | |||
CHEMBL308130 | 109950 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 7 | 1 | 2 | 6.9 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(Cc1ccccc1)c1ccccc1 | 10.1021/jm0004547 | |||
44573697 | 193989 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 3 | 2 | 3 | 2.9 | O=c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)[nH]1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL492377 | 193989 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 3 | 2 | 3 | 2.9 | O=c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)[nH]1 | 10.1016/j.bmcl.2009.01.101 | |||
9952193 | 107362 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm980521l | |||
CHEMBL291666 | 107362 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm980521l | |||
10689108 | 32512 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 312 | 3 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(CC3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | |||
CHEMBL135261 | 32512 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 312 | 3 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(CC3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | |||
9947073 | 199865 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.1 | O=Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL522539 | 199865 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.1 | O=Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
9983662 | 20728 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 2 | 5 | 4.3 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
CHEMBL1196677 | 20728 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 2 | 5 | 4.3 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
CHEMBL557802 | 20728 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 2 | 5 | 4.3 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | |||
45481802 | 205187 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 3 | 1 | 6 | 3.7 | COc1cccc2sc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)nc12 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL576941 | 205187 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 3 | 1 | 6 | 3.7 | COc1cccc2sc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)nc12 | 10.1016/j.bmc.2009.05.064 | |||
9908720 | 211415 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3cnccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL73534 | 211415 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3cnccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
71518853 | 92936 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(OCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312064 | 92936 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(OCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
44313572 | 211701 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 4.6 | Cc1cc(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
CHEMBL76218 | 211701 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 4.6 | Cc1cc(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | |||
11099994 | 16902 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2ccc(NC(=O)CCc3ccncc3)cc21 | 10.1021/jm011125x | |||
CHEMBL115690 | 16902 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2ccc(NC(=O)CCc3ccncc3)cc21 | 10.1021/jm011125x | |||
21129772 | 176203 | 4 | None | -309 | 9 | Human | 4.1 | pIC50 | = | 4.1 | 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 | 176203 | 4 | None | -309 | 9 | Human | 4.1 | pIC50 | = | 4.1 | 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 | |||
11056043 | 126828 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 311 | 4 | 2 | 2 | 3.9 | O=C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
CHEMBL350463 | 126828 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 311 | 4 | 2 | 2 | 3.9 | O=C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | |||
44460921 | 212485 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 4.1 | CN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL82408 | 212485 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 4.1 | CN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
10779945 | 175359 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 5.0 | Cc1nc(C2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL435825 | 175359 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 5.0 | Cc1nc(C2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
44580594 | 194881 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4c(C(F)(F)F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL498166 | 194881 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4c(C(F)(F)F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
10498514 | 125994 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CC(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL343330 | 125994 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CC(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
22325350 | 191105 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 2 | 1 | 6 | 2.6 | CS(=O)(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL484267 | 191105 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 2 | 1 | 6 | 2.6 | CS(=O)(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | |||
44377468 | 63274 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 63274 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 8 | 2 | 4 | 5.0 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | |||
10734658 | 34377 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 286 | 2 | 1 | 3 | 4.0 | Cc1nc(-c2cccnc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
CHEMBL136959 | 34377 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 286 | 2 | 1 | 3 | 4.0 | Cc1nc(-c2cccnc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | |||
10789271 | 171635 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 3.8 | Cc1nc(N2CCCCC2)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
CHEMBL421913 | 171635 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 3.8 | Cc1nc(N2CCCCC2)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
44377854 | 126891 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 126891 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | |||
10075283 | 19751 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 | 10.1021/jm049599u | |||
CHEMBL1189496 | 19751 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 | 10.1021/jm049599u | |||
CHEMBL538823 | 19751 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 | 10.1021/jm049599u | |||
12078329 | 36220 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2nc(Cc3ccc(F)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
CHEMBL138435 | 36220 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2nc(Cc3ccc(F)cc3)cc-2[nH]1 | 10.1021/jm000269t | |||
44401449 | 77869 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 544 | 6 | 2 | 6 | 5.0 | O=S(=O)(NC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL195346 | 77869 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 544 | 6 | 2 | 6 | 5.0 | O=S(=O)(NC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | |||
11204090 | 70281 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(N[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL180003 | 70281 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(N[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
44390118 | 130687 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 4 | 1 | 4 | 5.3 | O=C(c1cccc(F)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
CHEMBL362795 | 130687 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 4 | 1 | 4 | 5.3 | O=C(c1cccc(F)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | |||
11342160 | 129713 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
CHEMBL360671 | 129713 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | |||
11342160 | 129713 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
CHEMBL360671 | 129713 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | |||
9934923 | 109418 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 5 | 3 | 5 | 3.5 | O=C(NC1=NC2CCc3cc(O)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL304353 | 109418 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 5 | 3 | 5 | 3.5 | O=C(NC1=NC2CCc3cc(O)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | |||
9847333 | 204929 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 465 | 3 | 1 | 5 | 3.4 | Cn1ccnc1-c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL574772 | 204929 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 465 | 3 | 1 | 5 | 3.4 | Cn1ccnc1-c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | |||
11057893 | 211893 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 | 10.1021/jm0004547 | |||
CHEMBL77769 | 211893 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 | 10.1021/jm0004547 | |||
23442513 | 73774 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL186916 | 73774 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 | 10.1016/j.bmcl.2005.05.009 | |||
44271231 | 67202 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
CHEMBL17513 | 67202 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | |||
20587799 | 198457 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 347 | 1 | 1 | 4 | 3.8 | Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL519651 | 198457 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 347 | 1 | 1 | 4 | 3.8 | Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C | 10.1016/j.bmcl.2008.08.018 | |||
10223395 | 194501 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL495369 | 194501 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | |||
44580222 | 190951 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 363 | 1 | 1 | 6 | 3.0 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL483040 | 190951 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 363 | 1 | 1 | 6 | 3.0 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
71519164 | 92944 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312072 | 92944 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
9983624 | 20713 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 4.9 | Cn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL1196584 | 20713 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 4.9 | Cn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1021/jm049599u | |||
CHEMBL557540 | 20713 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 4.9 | Cn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1021/jm049599u | |||
44573615 | 194012 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
CHEMBL492567 | 194012 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | |||
44573615 | 194012 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
CHEMBL492567 | 194012 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | |||
9888989 | 210603 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 1 | 4 | 5.2 | COc1ccc2c(c1)CCC(NCCc1ccc(OC)c(OC)c1)C2Cc1ccccc1 | 10.1021/jm990468g | |||
CHEMBL68467 | 210603 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 1 | 4 | 5.2 | COc1ccc2c(c1)CCC(NCCc1ccc(OC)c(OC)c1)C2Cc1ccccc1 | 10.1021/jm990468g | |||
22257112 | 109679 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 3.8 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
CHEMBL305987 | 109679 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 3.8 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | |||
44580505 | 194588 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
CHEMBL495930 | 194588 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | |||
44579794 | 193824 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 318 | 1 | 1 | 3 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
CHEMBL491020 | 193824 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 318 | 1 | 1 | 3 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | |||
10758195 | 85294 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
CHEMBL2111927 | 85294 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | |||
44370202 | 126852 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 522 | 6 | 3 | 6 | 4.0 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
CHEMBL350684 | 126852 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 522 | 6 | 3 | 6 | 4.0 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | |||
9967784 | 195635 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
CHEMBL506812 | 195635 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | |||
9819988 | 35365 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 354 | 3 | 1 | 3 | 5.2 | c1ccc(-c2cc3nc(-c4ccccc4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
CHEMBL137669 | 35365 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 354 | 3 | 1 | 3 | 5.2 | c1ccc(-c2cc3nc(-c4ccccc4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | |||
10970790 | 211845 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 374 | 6 | 1 | 3 | 5.2 | C[C@H](C(=O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL77255 | 211845 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 374 | 6 | 1 | 3 | 5.2 | C[C@H](C(=O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
11111618 | 212249 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 6 | 1 | 4 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL80465 | 212249 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 6 | 1 | 4 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
71519167 | 92948 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cn3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312076 | 92948 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cn3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
71519002 | 92941 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
CHEMBL2312069 | 92941 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | |||
44461106 | 212354 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(Cl)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
CHEMBL81337 | 212354 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(Cl)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | |||
23442587 | 73951 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
CHEMBL187729 | 73951 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1 | 10.1016/j.bmcl.2005.05.009 | |||
44302732 | 209515 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.9 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL61880 | 209515 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.9 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
56683704 | 72144 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL1829320 | 72144 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
57345521 | 80087 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013020 | 80087 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL4284905 | 220229 | 0 | None | -1 | 4 | 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](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 | |||||
CHEMBL4284905 | 220229 | 0 | None | -1 | 4 | 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](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 | |||||
10273848 | 162148 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 4 | 1 | 3 | 3.5 | CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL403414 | 162148 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 4 | 1 | 3 | 3.5 | CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
56841989 | 220199 | 6 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | 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 | 220199 | 6 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | 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 | |||||
57345520 | 80079 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013012 | 80079 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
56841989 | 220199 | 6 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | 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 | 220199 | 6 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | 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 | |||||
56666778 | 72147 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 459 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829323 | 72147 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 459 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL4277590 | 220152 | 0 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | 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 | |||||
CHEMBL4286615 | 220243 | 0 | None | -63 | 4 | 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](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 | |||||
CHEMBL4277590 | 220152 | 0 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | 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 | |||||
CHEMBL4286615 | 220243 | 0 | None | -63 | 4 | 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](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 | |||||
70685339 | 80258 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016732 | 80258 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
10203845 | 162363 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 5 | 1 | 3 | 3.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL404461 | 162363 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 5 | 1 | 3 | 3.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
70681111 | 80224 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 435 | 3 | 1 | 6 | 3.9 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016682 | 80224 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 435 | 3 | 1 | 6 | 3.9 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
56683705 | 72146 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 7 | 2 | 5 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829322 | 72146 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 7 | 2 | 5 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
44139479 | 199480 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cccc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL521947 | 199480 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cccc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
56666779 | 72150 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL1829326 | 72150 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
22458813 | 206999 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 351 | 5 | 1 | 4 | 3.5 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL59680 | 206999 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 351 | 5 | 1 | 4 | 3.5 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
57404430 | 80266 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016740 | 80266 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
56666779 | 72150 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829326 | 72150 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
56666777 | 72145 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL1829321 | 72145 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
70687454 | 80077 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)sc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013010 | 80077 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)sc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
70683225 | 80089 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cccc(Cl)c32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013022 | 80089 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cccc(Cl)c32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
70681101 | 80092 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013025 | 80092 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
57404430 | 80265 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016739 | 80265 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
56683704 | 72144 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829320 | 72144 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
44138706 | 193756 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2ccnc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL490561 | 193756 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2ccnc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
44139234 | 199947 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
CHEMBL523134 | 199947 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
70685315 | 80088 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013021 | 80088 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
44139732 | 19470 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.2 | COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1 | 10.1021/jm900110t | |||
CHEMBL1187514 | 19470 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.2 | COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1 | 10.1021/jm900110t | |||
CHEMBL506163 | 19470 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.2 | COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1 | 10.1021/jm900110t | |||
70693715 | 80083 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013016 | 80083 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
10298415 | 173571 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL428423 | 173571 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
9930778 | 61922 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | |||
CHEMBL161724 | 61922 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | |||
9930778 | 61922 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL161724 | 61922 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1016/j.bmcl.2012.02.098 | |||
70685316 | 80091 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013024 | 80091 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
10159722 | 101860 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 429 | 4 | 1 | 3 | 3.1 | CN(C(=O)N[C@H]1CC[C@H](c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL255353 | 101860 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 429 | 4 | 1 | 3 | 3.1 | CN(C(=O)N[C@H]1CC[C@H](c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL4278700 | 220169 | 0 | None | -12 | 4 | 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](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 | |||||
42630820 | 193857 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL491288 | 193857 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL4278700 | 220169 | 0 | None | -12 | 4 | 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](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 | |||||
42630820 | 193857 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL491288 | 193857 | 10 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
54141274 | 73391 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | |||
CHEMBL1836102 | 73391 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | |||
CHEMBL1852685 | 73391 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | |||
44138709 | 193669 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL489726 | 193669 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
44138709 | 193669 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL489726 | 193669 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
10041217 | 107809 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4ccc[nH]c-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL294560 | 107809 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4ccc[nH]c-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
70693714 | 80082 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 2.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3c2ccc(F)c3F)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013015 | 80082 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 2.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3c2ccc(F)c3F)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
70693717 | 80085 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 391 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013018 | 80085 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 391 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
10272799 | 162238 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 4.0 | CCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL403918 | 162238 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 4.0 | CCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL4279973 | 220180 | 0 | None | -10 | 4 | Human | 8.8 | pKi | = | 8.8 | 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)[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 | |||||
10062681 | 117993 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL326483 | 117993 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL4279973 | 220180 | 0 | None | -10 | 4 | Human | 8.8 | pKi | = | 8.8 | 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)[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 | |||||
11491176 | 206822 | 38 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL595573 | 206822 | 38 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2012.02.098 | |||
44139478 | 193720 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL490123 | 193720 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
9930778 | 61922 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | |||
CHEMBL161724 | 61922 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | |||
70691635 | 80086 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3c(Cl)cccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013019 | 80086 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3c(Cl)cccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
20647089 | 74596 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 397 | 12 | 2 | 6 | 3.0 | CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909727 | 74596 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 397 | 12 | 2 | 6 | 3.0 | CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
56663345 | 72148 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 1.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829324 | 72148 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 1.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
44138708 | 19403 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.1 | C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL1187117 | 19403 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.1 | C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL490903 | 19403 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.1 | C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
70693716 | 80084 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 407 | 8 | 2 | 4 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CCN2CCc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013017 | 80084 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 407 | 8 | 2 | 4 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CCN2CCc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
10293988 | 102419 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 3.6 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL257940 | 102419 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 3.6 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
20647101 | 74780 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 11 | 2 | 7 | 4.1 | COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912082 | 74780 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 11 | 2 | 7 | 4.1 | COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
44138579 | 19404 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 3 | 1 | 4 | 3.4 | C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
CHEMBL1187124 | 19404 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 3 | 1 | 4 | 3.4 | C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
CHEMBL491119 | 19404 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 3 | 1 | 4 | 3.4 | C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
10017062 | 209522 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.8 | CCn1c2ccccc2c2cc(-c3nc(C)c(C)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL61934 | 209522 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.8 | CCn1c2ccccc2c2cc(-c3nc(C)c(C)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL4276961 | 220147 | 0 | None | -1000 | 4 | Human | 8.0 | pKi | = | 8 | 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 | |||||
70689521 | 80261 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.8 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OCc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016735 | 80261 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.8 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OCc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
76321859 | 112497 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 428 | 5 | 1 | 3 | 4.3 | CCN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126050 | 112497 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 428 | 5 | 1 | 3 | 4.3 | CCN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
70693713 | 80078 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 409 | 7 | 2 | 6 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)oc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013011 | 80078 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 409 | 7 | 2 | 6 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)oc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
10970274 | 126853 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 354 | 3 | 2 | 3 | 4.0 | O=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1 | 10.1021/jm025513q | |||
CHEMBL350690 | 126853 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 354 | 3 | 2 | 3 | 4.0 | O=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1 | 10.1021/jm025513q | |||
21336489 | 86271 | 0 | None | 1737 | 2 | Human | 8.0 | pKi | = | 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 | 86271 | 0 | None | 1737 | 2 | Human | 8.0 | pKi | = | 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 | |||
21336507 | 196471 | 0 | None | 1288 | 2 | Human | 8.0 | pKi | = | 8 | 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 | 196471 | 0 | None | 1288 | 2 | Human | 8.0 | pKi | = | 8 | 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 | |||
CHEMBL4285633 | 220236 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 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](CCNC(=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 | |||||
CHEMBL4287469 | 220249 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 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(=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)CC(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4288294 | 220257 | 0 | None | -15 | 4 | Human | 7.0 | pKi | = | 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)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4277697 | 220155 | 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 | |||||
CHEMBL4281120 | 220193 | 0 | None | -3 | 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](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 | |||||
CHEMBL4290488 | 220275 | 0 | None | -1 | 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(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 | |||||
164626032 | 193313 | 0 | None | -1000 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 976 | 33 | 19 | 13 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | |||
CHEMBL4877802 | 193313 | 0 | None | -1000 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 976 | 33 | 19 | 13 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | |||
10020909 | 108629 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 352 | 3 | 1 | 3 | 5.6 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccn4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL300543 | 108629 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 352 | 3 | 1 | 3 | 5.6 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccn4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
44294762 | 108303 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 3 | 5 | 4.7 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL298168 | 108303 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 3 | 5 | 4.7 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
20647087 | 74765 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 394 | 9 | 2 | 6 | 3.2 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912067 | 74765 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 394 | 9 | 2 | 6 | 3.2 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F | 10.1016/j.bmcl.2011.08.072 | |||
22458796 | 107516 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 335 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL292729 | 107516 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 335 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
70687474 | 80269 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 4 | 1 | 5 | 5.1 | CCN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016743 | 80269 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 4 | 1 | 5 | 5.1 | CCN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
136000676 | 69562 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2c[nH]c(=O)c(F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784123 | 69562 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2c[nH]c(=O)c(F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
21336511 | 197926 | 0 | None | 323 | 2 | Human | 8.0 | pKi | = | 8.0 | 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 | 197926 | 0 | None | 323 | 2 | Human | 8.0 | pKi | = | 8.0 | 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 | |||
57392816 | 74776 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 10 | 2 | 6 | 4.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912078 | 74776 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 10 | 2 | 6 | 4.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1 | 10.1016/j.bmcl.2011.08.072 | |||
56683706 | 72152 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 8 | 2 | 5 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829328 | 72152 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 8 | 2 | 5 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
57403258 | 74782 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 406 | 10 | 2 | 8 | 2.5 | Cn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912084 | 74782 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 406 | 10 | 2 | 8 | 2.5 | Cn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL2110365 | 215992 | 4 | None | -426 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | |||||
44345744 | 120742 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3nccc4ccccc34)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL332598 | 120742 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3nccc4ccccc34)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL2440183 | 217253 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | 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(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 | |||||
46209585 | 74766 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912068 | 74766 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
10247746 | 109503 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 3.8 | CCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL304896 | 109503 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 3.8 | CCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
46912327 | 112496 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 3 | 4.3 | CN1CCCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126049 | 112496 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 3 | 4.3 | CN1CCCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
10435289 | 177762 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 480 | 8 | 2 | 5 | 4.5 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3c(c2)OCCO3)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL445613 | 177762 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 480 | 8 | 2 | 5 | 4.5 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3c(c2)OCCO3)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
70689510 | 80095 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 7 | 3 | 3 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013028 | 80095 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 7 | 3 | 3 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
11078256 | 59086 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2cccc(Cl)c2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
CHEMBL158940 | 59086 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2cccc(Cl)c2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
44294942 | 193306 | 0 | None | 58 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 11 | 2 | 3 | 5.6 | O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | |||
CHEMBL48777 | 193306 | 0 | None | 58 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 11 | 2 | 3 | 5.6 | O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | |||
CHEMBL4280392 | 220185 | 0 | None | -100 | 4 | Human | 6.9 | pKi | = | 6.9 | 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)[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 | |||||
44350924 | 175767 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 175767 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 175767 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
CHEMBL4280898 | 220189 | 0 | None | -2 | 3 | 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](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283257 | 220216 | 0 | None | -645 | 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](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 | |||||
CHEMBL4289416 | 220265 | 0 | None | -8 | 3 | 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](CCCCNC(=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 | |||||
CHEMBL4291705 | 220289 | 0 | None | -1 | 3 | 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](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
10045322 | 69291 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2ccc(=O)n(C)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1782077 | 69291 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2ccc(=O)n(C)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
10202875 | 101859 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2cccc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL255352 | 101859 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2cccc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL4280392 | 220185 | 0 | None | -100 | 4 | Human | 6.9 | pKi | = | 6.9 | 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)[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 | |||||
20610118 | 162183 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2ccc(Cl)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL403622 | 162183 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2ccc(Cl)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
44350924 | 175767 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 175767 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | 175767 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | 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 | |||
CHEMBL4280898 | 220189 | 0 | None | -2 | 3 | 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](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283257 | 220216 | 0 | None | -645 | 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](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 | |||||
CHEMBL4289416 | 220265 | 0 | None | -8 | 3 | 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](CCCCNC(=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 | |||||
CHEMBL4291705 | 220289 | 0 | None | -1 | 3 | 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](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
2226619 | 209514 | 10 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 306 | 2 | 1 | 2 | 4.3 | CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL61879 | 209514 | 10 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 306 | 2 | 1 | 2 | 4.3 | CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
44345803 | 124078 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL339652 | 124078 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
56673734 | 72155 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829331 | 72155 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
9886706 | 185421 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
CHEMBL467558 | 185421 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
1202745 | 195781 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL508770 | 195781 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
9806472 | 168770 | 0 | None | 257 | 2 | Human | 7.9 | pKi | = | 7.9 | 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 | 168770 | 0 | None | 257 | 2 | Human | 7.9 | pKi | = | 7.9 | 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 | |||
21336493 | 195986 | 0 | None | 1698 | 2 | Human | 7.9 | pKi | = | 7.9 | 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 | 195986 | 0 | None | 1698 | 2 | Human | 7.9 | pKi | = | 7.9 | 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 | |||
127031281 | 145984 | 0 | None | -104 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | 145984 | 0 | None | -104 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | 145984 | 0 | None | -104 | 4 | Human | 6.9 | pKi | = | 6.9 | 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 | |||
12250898 | 117319 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL325171 | 117319 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
44138575 | 193815 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 3 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1 | 10.1021/jm900110t | |||
CHEMBL490901 | 193815 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 3 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1 | 10.1021/jm900110t | |||
44345940 | 22355 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 3.2 | COc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1OC | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL122120 | 22355 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 3.2 | COc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1OC | 10.1016/s0960-894x(03)00747-9 | |||
9858246 | 107854 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.9 | CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL294842 | 107854 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.9 | CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
10450609 | 109058 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 2 | 6.2 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccc4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL303325 | 109058 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 2 | 6.2 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccc4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
10245014 | 169572 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc[nH]cc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL417225 | 169572 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc[nH]cc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL4279794 | 220178 | 0 | None | -63 | 4 | Human | 7.8 | pKi | = | 7.8 | 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](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 | |||||
CHEMBL4287140 | 220247 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | 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)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 | |||||
20647122 | 74763 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 10 | 2 | 6 | 2.7 | CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912065 | 74763 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 10 | 2 | 6 | 2.7 | CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
57399737 | 74773 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 374 | 9 | 2 | 7 | 3.0 | Cc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912075 | 74773 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 374 | 9 | 2 | 7 | 3.0 | Cc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
155524657 | 177768 | 0 | None | -2754 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | 177768 | 0 | None | -2754 | 4 | Human | 5.8 | pKi | = | 5.8 | 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 | |||
44294740 | 108326 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 470 | 11 | 3 | 5 | 4.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL298342 | 108326 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 470 | 11 | 3 | 5 | 4.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
12250900 | 118095 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL326736 | 118095 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL4283846 | 220222 | 0 | None | -3 | 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)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 | |||||
57391020 | 74783 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 10 | 2 | 8 | 3.1 | Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912085 | 74783 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 10 | 2 | 8 | 3.1 | Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
10384590 | 207271 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 4 | 4.3 | CC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL59866 | 207271 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 4 | 4.3 | CC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
10332613 | 121218 | 3 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL333310 | 121218 | 3 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL4279794 | 220178 | 0 | None | -63 | 4 | Human | 7.8 | pKi | = | 7.8 | 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](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 | |||||
CHEMBL4287140 | 220247 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | 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)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 | |||||
70695681 | 85130 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | |||
CHEMBL2110162 | 85130 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | |||
CHEMBL4283846 | 220222 | 0 | None | -3 | 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)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 | |||||
10160875 | 102171 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(F)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL256885 | 102171 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(F)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
20610116 | 104799 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 1.9 | CC(=O)c1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL272964 | 104799 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 1.9 | CC(=O)c1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL2440192 | 217260 | 0 | None | -32 | 3 | Human | 7.8 | pKi | = | 7.8 | 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 | |||||
24950710 | 185594 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
CHEMBL469173 | 185594 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
CHEMBL4540843 | 220772 | 19 | None | -18 | 3 | 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](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 | |||||
21336500 | 108451 | 0 | None | 190 | 2 | Human | 7.8 | pKi | = | 7.8 | 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 | 108451 | 0 | None | 190 | 2 | Human | 7.8 | pKi | = | 7.8 | 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 | |||
CHEMBL4540843 | 220772 | 19 | None | -18 | 3 | 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](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 | |||||
57394524 | 74599 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 10 | 2 | 7 | 1.9 | CN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909730 | 74599 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 10 | 2 | 7 | 1.9 | CN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
57392815 | 74768 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912070 | 74768 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
56663346 | 72151 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 413 | 8 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829327 | 72151 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 413 | 8 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
57399726 | 74588 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 10 | 2 | 7 | 2.8 | Cc1nccnc1-c1csc(NCCCCCNS(=O)(=O)C(C)C)n1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909719 | 74588 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 10 | 2 | 7 | 2.8 | Cc1nccnc1-c1csc(NCCCCCNS(=O)(=O)C(C)C)n1 | 10.1016/j.bmcl.2011.08.072 | |||
70685340 | 80264 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016738 | 80264 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
20647107 | 74784 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 10 | 2 | 8 | 3.4 | Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912086 | 74784 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 10 | 2 | 8 | 3.4 | Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
44345818 | 20501 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL119507 | 20501 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00747-9 | |||
56683702 | 72138 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829314 | 72138 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
56677038 | 72135 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 2.5 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829311 | 72135 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 2.5 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | |||
12260207 | 185501 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 1 | 1 | 4 | 4.2 | CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL468414 | 185501 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 1 | 1 | 4 | 4.2 | CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
11475091 | 185333 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL466946 | 185333 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc32)=C(O)C1 | 10.1021/jm8003587 | |||
44295007 | 108524 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 633 | 12 | 3 | 5 | 4.9 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL299742 | 108524 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 633 | 12 | 3 | 5 | 4.9 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL4289021 | 220262 | 0 | None | -7 | 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)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 | |||||
CHEMBL4290615 | 220276 | 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)[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 | 220208 | 0 | None | -630 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||||
57399727 | 74591 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 4.4 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909722 | 74591 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 4.4 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.08.072 | |||
46913706 | 112488 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 4.5 | O=C1CCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126041 | 112488 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 4.5 | O=C1CCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
9946965 | 199851 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1021/jm900110t | |||
CHEMBL522456 | 199851 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1021/jm900110t | |||
44139602 | 200054 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 3 | 1 | 6 | 2.9 | C[C@@H]1NC(c2cnsn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL523945 | 200054 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 3 | 1 | 6 | 2.9 | C[C@@H]1NC(c2cnsn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
70687457 | 80096 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013029 | 80096 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
10112931 | 101825 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL255147 | 101825 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
1504 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
1518 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
1521 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
24868177 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
44288922 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
77068007 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
90479759 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
CHEMBL438945 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
44139601 | 200028 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 1 | 5 | 2.8 | C[C@@H]1NC(c2cnccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL523776 | 200028 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 1 | 5 | 2.8 | C[C@@H]1NC(c2cnccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
70687455 | 80090 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013023 | 80090 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL429531 | 220316 | 15 | None | -27 | 4 | 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](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 | |||||
70683239 | 80263 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 1 | 5 | 4.6 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016737 | 80263 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 1 | 5 | 4.6 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
9887225 | 193927 | 3 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1021/jm900110t | |||
CHEMBL491930 | 193927 | 3 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1021/jm900110t | |||
10112931 | 101825 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL255147 | 101825 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
44139599 | 193816 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 5 | 3.4 | COc1ccnc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c1 | 10.1021/jm900110t | |||
CHEMBL490902 | 193816 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 5 | 3.4 | COc1ccnc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c1 | 10.1021/jm900110t | |||
44138581 | 193921 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.4 | C[C@@H]1NC(c2cccc(S(C)(=O)=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL491894 | 193921 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.4 | C[C@@H]1NC(c2cccc(S(C)(=O)=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
10155282 | 205663 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 6 | 2 | 3 | 4.5 | CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL58424 | 205663 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 6 | 2 | 3 | 4.5 | CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
54580489 | 69479 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1783923 | 69479 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
44138577 | 199904 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 4.3 | CC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
CHEMBL522793 | 199904 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 4.3 | CC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
10202456 | 102203 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 4 | 1 | 3 | 3.2 | CC(C)C(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL257022 | 102203 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 4 | 1 | 3 | 3.2 | CC(C)C(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
10047509 | 69569 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784130 | 69569 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
10046270 | 69570 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784131 | 69570 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
10275303 | 102352 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 2.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL257707 | 102352 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 2.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
11729353 | 59054 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.6 | COc1ccc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
CHEMBL158913 | 59054 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.6 | COc1ccc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
10363209 | 69566 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 3.2 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784127 | 69566 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 3.2 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL439904 | 220633 | 13 | None | -50 | 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 | |||||
44577739 | 196170 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL512996 | 196170 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
10223183 | 162352 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL404398 | 162352 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL4289021 | 220262 | 0 | None | -7 | 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)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 | |||||
CHEMBL4290615 | 220276 | 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)[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 | |||||
56659886 | 72136 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829312 | 72136 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL4282168 | 220208 | 0 | None | -630 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||||
9922187 | 107761 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 4 | 1 | 3 | 3.3 | CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL294286 | 107761 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 4 | 1 | 3 | 3.3 | CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
44345949 | 21321 | 3 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL120332 | 21321 | 3 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
56677039 | 72141 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 1.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829317 | 72141 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 1.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
44345638 | 116929 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL323658 | 116929 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
56670210 | 72137 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 479 | 7 | 2 | 5 | 3.1 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829313 | 72137 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 479 | 7 | 2 | 5 | 3.1 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | |||
85472343 | 179081 | 0 | None | -338 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | 179081 | 0 | None | -338 | 4 | Human | 5.7 | pKi | = | 5.7 | 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 | |||
23397122 | 208534 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL60667 | 208534 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
24950555 | 185553 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
CHEMBL468847 | 185553 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
70685339 | 80259 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016733 | 80259 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
127030359 | 145985 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | 145985 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | 145985 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | 145985 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | 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 | |||
155561620 | 182429 | 0 | None | -18 | 3 | Human | 6.7 | pKi | = | 6.7 | 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 | 182429 | 0 | None | -18 | 3 | Human | 6.7 | pKi | = | 6.7 | 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 | |||
56659887 | 72140 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)S(=O)(=O)c3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829316 | 72140 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)S(=O)(=O)c3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
44345719 | 120564 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 227 | 2 | 1 | 2 | 3.5 | c1cncc(-c2nc(C3CCCCC3)c[nH]2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL332381 | 120564 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 227 | 2 | 1 | 2 | 3.5 | c1cncc(-c2nc(C3CCCCC3)c[nH]2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
21336486 | 108125 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 475 | 10 | 3 | 3 | 5.7 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL296906 | 108125 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 475 | 10 | 3 | 3 | 5.7 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
70695858 | 80270 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 510 | 4 | 1 | 5 | 5.6 | O=C1O[C@]2(CC[C@@H](N(CC(F)(F)F)C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016744 | 80270 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 510 | 4 | 1 | 5 | 5.6 | O=C1O[C@]2(CC[C@@H](N(CC(F)(F)F)C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2012.02.098 | |||
44283143 | 168477 | 0 | None | -1023 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 168477 | 0 | None | -1023 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | 168477 | 0 | None | -1023 | 4 | Human | 5.6 | pKi | = | 5.6 | 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 | |||
24950871 | 185308 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
CHEMBL466756 | 185308 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | |||
57391019 | 74778 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 543 | 12 | 2 | 8 | 4.5 | O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912080 | 74778 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 543 | 12 | 2 | 8 | 4.5 | O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL4294277 | 220309 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | 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)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 | |||||
9907999 | 171647 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
CHEMBL422012 | 171647 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
CHEMBL4294277 | 220309 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | 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)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 | |||||
57396288 | 74771 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 3.9 | O=S(=O)(CC1CCCC1)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912073 | 74771 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 3.9 | O=S(=O)(CC1CCCC1)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL4282216 | 220209 | 0 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | 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)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 | |||||
CHEMBL4282216 | 220209 | 0 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | 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)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 | |||||
21336503 | 197848 | 0 | None | 549 | 2 | Human | 7.6 | pKi | = | 7.6 | 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 | 197848 | 0 | None | 549 | 2 | Human | 7.6 | pKi | = | 7.6 | 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 | |||
11130476 | 61706 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 303 | 3 | 2 | 2 | 3.4 | O=C(Nc1cc(-c2ccccc2)[nH]n1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
CHEMBL161398 | 61706 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 303 | 3 | 2 | 2 | 3.4 | O=C(Nc1cc(-c2ccccc2)[nH]n1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
44345971 | 21234 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL120117 | 21234 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
56673731 | 72133 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 7 | 2 | 5 | 2.4 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829309 | 72133 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 7 | 2 | 5 | 2.4 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
10223847 | 162333 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 1.6 | CN(C(=O)NC1CCN(c2cccc(C#N)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL404304 | 162333 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 1.6 | CN(C(=O)NC1CCN(c2cccc(C#N)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
57398084 | 74777 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 409 | 10 | 3 | 7 | 2.5 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCNCC1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912079 | 74777 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 409 | 10 | 3 | 7 | 2.5 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCNCC1 | 10.1016/j.bmcl.2011.08.072 | |||
54584448 | 69481 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(=O)[nH]c1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1783925 | 69481 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(=O)[nH]c1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
21336495 | 108801 | 0 | None | 1737 | 2 | Human | 7.6 | pKi | = | 7.6 | 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 | 108801 | 0 | None | 1737 | 2 | Human | 7.6 | pKi | = | 7.6 | 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 | |||
127029975 | 145994 | 0 | None | -56 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 145994 | 0 | None | -56 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | 145994 | 0 | None | -56 | 4 | Human | 6.6 | pKi | = | 6.6 | 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 | |||
24950556 | 196250 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL513701 | 196250 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
57398069 | 74592 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 10 | 2 | 7 | 2.0 | CC(C)S(=O)(=O)NCCOCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909723 | 74592 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 10 | 2 | 7 | 2.0 | CC(C)S(=O)(=O)NCCOCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
76332712 | 112490 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126043 | 112490 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
10178465 | 199970 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 2.9 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)[C@H](CO)N2)c1 | 10.1021/jm900110t | |||
CHEMBL523305 | 199970 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 2.9 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)[C@H](CO)N2)c1 | 10.1021/jm900110t | |||
44139356 | 199473 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)nc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL521932 | 199473 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)nc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL4292105 | 220292 | 0 | None | -7 | 4 | Human | 8.5 | pKi | = | 8.5 | 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](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 | |||||
CHEMBL4292105 | 220292 | 0 | None | -7 | 4 | Human | 8.5 | pKi | = | 8.5 | 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](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 | |||||
44139480 | 193922 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cncc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL491895 | 193922 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cncc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
10181110 | 173850 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL428953 | 173850 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
10139329 | 174199 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 2.8 | CC(C)S(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL429679 | 174199 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 2.8 | CC(C)S(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
57398085 | 74785 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 10 | 2 | 8 | 3.8 | Cc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912087 | 74785 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 10 | 2 | 8 | 3.8 | Cc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
22458823 | 108782 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 4.8 | CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL301638 | 108782 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 4.8 | CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
136088970 | 69563 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2c[nH]c(=O)c(Cl)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784124 | 69563 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2c[nH]c(=O)c(Cl)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
56677041 | 72149 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829325 | 72149 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
10161574 | 102353 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 6 | 1 | 4 | 2.8 | CCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL257708 | 102353 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 6 | 1 | 4 | 2.8 | CCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
44345933 | 23072 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL122527 | 23072 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
56666777 | 72145 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829321 | 72145 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
70685314 | 80080 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 7 | 2 | 4 | 2.4 | Cc1ccc2c(c1)CCN2CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013013 | 80080 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 7 | 2 | 4 | 2.4 | Cc1ccc2c(c1)CCN2CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
9907999 | 171647 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
CHEMBL422012 | 171647 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
11742181 | 69568 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.8 | CC(C)n1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784129 | 69568 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.8 | CC(C)n1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
21031286 | 193891 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2nccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL491567 | 193891 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2nccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
57396265 | 74589 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 10 | 2 | 6 | 3.8 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909720 | 74589 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 10 | 2 | 6 | 3.8 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
136000677 | 69564 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 434 | 3 | 2 | 4 | 3.7 | C[C@@H]1NC(c2c[nH]c(=O)c(C(F)(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784125 | 69564 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 434 | 3 | 2 | 4 | 3.7 | C[C@@H]1NC(c2c[nH]c(=O)c(C(F)(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
56677041 | 72149 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL1829325 | 72149 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL4290048 | 220269 | 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 | |||||
44345934 | 21329 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL120377 | 21329 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
44139354 | 193833 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
CHEMBL491107 | 193833 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
44345855 | 21425 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 3.0 | N#Cc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL120538 | 21425 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 3.0 | N#Cc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
70681118 | 80271 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 4.8 | O=C(CC1CCC2(CC1)Cc1ccccc1C(=O)O2)Nc1cnc(-c2ccccc2)cn1 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016745 | 80271 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 4.8 | O=C(CC1CCC2(CC1)Cc1ccccc1C(=O)O2)Nc1cnc(-c2ccccc2)cn1 | 10.1016/j.bmcl.2012.02.098 | |||
20610104 | 101941 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 1.7 | CN(C(=O)NC1CCN(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL255800 | 101941 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 1.7 | CN(C(=O)NC1CCN(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
20647123 | 74781 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 7 | 3.8 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912083 | 74781 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 7 | 3.8 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL4290891 | 220283 | 0 | None | 5 | 4 | Human | 7.5 | pKi | = | 7.5 | 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](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 | |||||
10295943 | 104838 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 1.7 | COc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL273180 | 104838 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 1.7 | COc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | |||
20610111 | 164444 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2ccc(F)c(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL408153 | 164444 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2ccc(F)c(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL4293564 | 220303 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | 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)[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 | |||||
10005032 | 65996 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2011.06.124 | |||
CHEMBL17022 | 65996 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2011.06.124 | |||
CHEMBL4290891 | 220283 | 0 | None | 5 | 4 | Human | 7.5 | pKi | = | 7.5 | 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](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 | |||||
9806472 | 168770 | 0 | None | 257 | 2 | Human | 7.5 | pKi | = | 7.5 | 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)00288-3 | |||
CHEMBL415926 | 168770 | 0 | None | 257 | 2 | Human | 7.5 | pKi | = | 7.5 | 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)00288-3 | |||
CHEMBL4293564 | 220303 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | 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)[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 | |||||
1565 | 8988 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm900110t | |||
624746 | 8988 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm900110t | |||
CHEMBL491762 | 8988 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm900110t | |||
1565 | 8988 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | |||
624746 | 8988 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | |||
CHEMBL491762 | 8988 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | |||
11002986 | 60610 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 363 | 5 | 2 | 4 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
CHEMBL160443 | 60610 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 363 | 5 | 2 | 4 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
57398068 | 74590 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 10 | 2 | 7 | 3.8 | Cc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909721 | 74590 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 10 | 2 | 7 | 3.8 | Cc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1 | 10.1016/j.bmcl.2011.08.072 | |||
44345935 | 21337 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 3.4 | Fc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1F | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL120431 | 21337 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 3.4 | Fc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1F | 10.1016/s0960-894x(03)00747-9 | |||
296732 | 118144 | 85 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 220 | 2 | 1 | 1 | 3.7 | c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL327027 | 118144 | 85 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 220 | 2 | 1 | 1 | 3.7 | c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
24950714 | 185478 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL468225 | 185478 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | |||
24950712 | 196146 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL512787 | 196146 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
7068786 | 189087 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL478417 | 189087 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | |||
10112368 | 162364 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2cccc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL404462 | 162364 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2cccc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
54586366 | 69484 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2cccc(=O)n2C)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1783928 | 69484 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2cccc(=O)n2C)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
9803547 | 185419 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL467550 | 185419 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | |||
24950557 | 185601 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
CHEMBL469256 | 185601 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
57396289 | 74775 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 9 | 2 | 6 | 5.1 | Cc1c(-c2csc(NCCCCCNS(C)(=O)=O)n2)sc2ccc(Cl)cc12 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912077 | 74775 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 9 | 2 | 6 | 5.1 | Cc1c(-c2csc(NCCCCCNS(C)(=O)=O)n2)sc2ccc(Cl)cc12 | 10.1016/j.bmcl.2011.08.072 | |||
44345650 | 117404 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL325704 | 117404 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
56663347 | 72157 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 8 | 2 | 5 | 3.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829333 | 72157 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 8 | 2 | 5 | 3.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
57392790 | 74597 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 411 | 10 | 2 | 7 | 2.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909728 | 74597 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 411 | 10 | 2 | 7 | 2.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1 | 10.1016/j.bmcl.2011.08.072 | |||
10449735 | 170013 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.2 | CC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL418459 | 170013 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.2 | CC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
22288540 | 109401 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.2 | CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL304245 | 109401 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.2 | CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL4280250 | 220183 | 0 | None | 1 | 3 | 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](CC(=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 | |||||
CHEMBL4283705 | 220220 | 0 | None | -3 | 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](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 | |||||
CHEMBL4290445 | 220274 | 0 | None | -630 | 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)[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 | |||||
44345853 | 21642 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL120760 | 21642 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL4290048 | 220269 | 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 | |||||
76325491 | 112492 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 457 | 4 | 1 | 4 | 5.4 | CC(C)(C)C1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126045 | 112492 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 457 | 4 | 1 | 4 | 5.4 | CC(C)(C)C1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
70681100 | 80081 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 411 | 7 | 2 | 4 | 2.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013014 | 80081 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 411 | 7 | 2 | 4 | 2.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
44139603 | 193670 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 3.5 | C[C@@H]1NC(c2nccs2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL489732 | 193670 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 3.5 | C[C@@H]1NC(c2nccs2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
136088969 | 69561 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784120 | 69561 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
9923839 | 193819 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1021/jm900110t | |||
CHEMBL490937 | 193819 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1021/jm900110t | |||
56677043 | 72158 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 427 | 8 | 2 | 4 | 3.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829334 | 72158 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 427 | 8 | 2 | 4 | 3.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
70695857 | 80268 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.7 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016742 | 80268 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.7 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
22458799 | 107768 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.4 | CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL294305 | 107768 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.4 | CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
10364093 | 69567 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 408 | 5 | 1 | 5 | 3.6 | CCCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784128 | 69567 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 408 | 5 | 1 | 5 | 3.6 | CCCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
44345801 | 21458 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL120586 | 21458 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
44345737 | 120602 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cnccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL332561 | 120602 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cnccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
44345961 | 120701 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL332582 | 120701 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL4280250 | 220183 | 0 | None | 1 | 3 | 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](CC(=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 | |||||
CHEMBL4283705 | 220220 | 0 | None | -3 | 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](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 | |||||
CHEMBL4290445 | 220274 | 0 | None | -630 | 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)[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 | |||||
155549336 | 181042 | 0 | None | -141 | 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 | |||
CHEMBL4549208 | 181042 | 0 | None | -141 | 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 | |||
44453965 | 101865 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 4 | 1 | 5 | 1.1 | CN(C(=O)NC1CCN(c2cccnc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL255390 | 101865 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 4 | 1 | 5 | 1.1 | CN(C(=O)NC1CCN(c2cccnc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
10041884 | 169578 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL417236 | 169578 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
76321860 | 112498 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 5 | 1 | 3 | 4.7 | CC(C)N1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126051 | 112498 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 5 | 1 | 3 | 4.7 | CC(C)N1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
24950870 | 185602 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 2 | 1 | 4 | 5.6 | CCc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
CHEMBL469257 | 185602 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 2 | 1 | 4 | 5.6 | CCc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
44294983 | 108505 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 5 | 4.0 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL299579 | 108505 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 5 | 4.0 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | |||
44294898 | 193650 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 490 | 7 | 2 | 3 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL48960 | 193650 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 490 | 7 | 2 | 3 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
54580488 | 69478 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cc[nH]c(=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1783922 | 69478 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cc[nH]c(=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
56673732 | 72134 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 454 | 7 | 2 | 5 | 1.6 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCSc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829310 | 72134 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 454 | 7 | 2 | 5 | 1.6 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCSc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
44295107 | 108057 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 15 | 3 | 5 | 4.7 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCCCCCNS(=O)(=O)c2cccc3ccccc23)cc1 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL296387 | 108057 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 15 | 3 | 5 | 4.7 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCCCCCNS(=O)(=O)c2cccc3ccccc23)cc1 | 10.1016/s0960-894x(02)00288-3 | |||
10336953 | 107492 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.7 | CCn1c(=O)c2ccc(NC(=O)C(F)(F)F)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL292560 | 107492 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.7 | CCn1c(=O)c2ccc(NC(=O)C(F)(F)F)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | |||
57398083 | 74774 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 346 | 9 | 2 | 7 | 2.4 | CS(=O)(=O)NCCCCCNc1nc(-c2nccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912076 | 74774 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 346 | 9 | 2 | 7 | 2.4 | CS(=O)(=O)NCCCCCNc1nc(-c2nccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
57391018 | 74769 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 10 | 2 | 6 | 2.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CC1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912071 | 74769 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 10 | 2 | 6 | 2.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CC1 | 10.1016/j.bmcl.2011.08.072 | |||
11099807 | 57481 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccccc2Cl)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
CHEMBL157588 | 57481 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccccc2Cl)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
22462213 | 194978 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 459 | 11 | 2 | 5 | 3.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL49906 | 194978 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 459 | 11 | 2 | 5 | 3.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
155547323 | 180405 | 0 | None | -41 | 3 | Human | 6.3 | pKi | = | 6.3 | 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 | 180405 | 0 | None | -41 | 3 | Human | 6.3 | pKi | = | 6.3 | 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 | |||
CHEMBL413426 | 219845 | 0 | None | -97 | 4 | Human | 6.3 | pKi | = | 6.3 | 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 | |||||
44345637 | 17245 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL116488 | 17245 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | |||
10183204 | 104384 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL270890 | 104384 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
57398081 | 74770 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 382 | 11 | 2 | 6 | 3.5 | CCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912072 | 74770 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 382 | 11 | 2 | 6 | 3.5 | CCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
20629114 | 80223 | 47 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016681 | 80223 | 47 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.02.098 | |||
136000678 | 69565 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 396 | 4 | 2 | 5 | 2.7 | COc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784126 | 69565 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 396 | 4 | 2 | 5 | 2.7 | COc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | |||
66677782 | 112486 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126039 | 112486 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
46913606 | 112493 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 2 | 3 | 3.5 | O=C1NCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126046 | 112493 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 2 | 3 | 3.5 | O=C1NCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
46913409 | 112494 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 4 | 1 | 3 | 3.9 | CN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126047 | 112494 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 4 | 1 | 3 | 3.9 | CN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | |||
44139600 | 193668 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C(N)=O)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL489725 | 193668 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C(N)=O)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
70689509 | 80093 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(C#N)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013026 | 80093 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(C#N)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
44139481 | 200037 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
CHEMBL523821 | 200037 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | |||
10224063 | 102258 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 3.4 | CCCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL257248 | 102258 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 3.4 | CCCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL4282616 | 220211 | 0 | None | 3 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | |||||
CHEMBL4282616 | 220211 | 0 | None | 3 | 4 | Human | 7.3 | pKi | = | 7.3 | 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 | |||||
10111188 | 102111 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL256592 | 102111 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
2317 | 74423 | 9 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmcl.2011.06.124 | |||
CHEMBL19060 | 74423 | 9 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmcl.2011.06.124 | |||
57398070 | 74593 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 7 | 1 | 7 | 2.0 | CC(C)S(=O)(=O)N1CCN(CCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909724 | 74593 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 7 | 1 | 7 | 2.0 | CC(C)S(=O)(=O)N1CCN(CCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL4276796 | 220145 | 0 | None | -63 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[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)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4278746 | 220170 | 0 | None | -3 | 3 | 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[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 | |||||
CHEMBL4276796 | 220145 | 0 | None | -63 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[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)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4278746 | 220170 | 0 | None | -3 | 3 | 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[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 | |||||
10820168 | 103635 | 0 | None | -147 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | 103635 | 0 | None | -147 | 4 | Human | 5.3 | pKi | = | 5.3 | 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 | |||
CHEMBL429005 | 220270 | 0 | None | -5 | 2 | Human | 6.3 | pKi | = | 6.3 | 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)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(N)=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 | |||||
57403234 | 74587 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909718 | 74587 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
10111188 | 102418 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL257939 | 102418 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
20610103 | 161988 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1ccccc1N1CCC(NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL402557 | 161988 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1ccccc1N1CCC(NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
12250899 | 21323 | 1 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL120336 | 21323 | 1 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
57394537 | 74767 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 9 | 2 | 6 | 2.3 | CS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912069 | 74767 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 9 | 2 | 6 | 2.3 | CS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
155553742 | 182217 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1505 | 47 | 22 | 18 | -0.4 | 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](C)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 | |||
CHEMBL4576579 | 182217 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1505 | 47 | 22 | 18 | -0.4 | 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](C)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 | |||
44345802 | 171804 | 3 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 251 | 3 | 1 | 3 | 3.1 | COc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL422608 | 171804 | 3 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 251 | 3 | 1 | 3 | 3.1 | COc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
10155286 | 162118 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 357 | 3 | 1 | 2 | 3.4 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL403223 | 162118 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 357 | 3 | 1 | 2 | 3.4 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
2821670 | 175235 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
CHEMBL435036 | 175235 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | |||
2979261 | 188425 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)C(C1=C(O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 | 10.1021/jm8003587 | |||
CHEMBL477578 | 188425 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)C(C1=C(O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 | 10.1021/jm8003587 | |||
11640844 | 12788 | 0 | None | -199 | 2 | Human | 5.2 | pKi | = | 5.2 | 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 | 12788 | 0 | None | -199 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | |||
46913508 | 112487 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126040 | 112487 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
10294889 | 102303 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 3 | 3.0 | CCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL257457 | 102303 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 3 | 3.0 | CCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
10341402 | 69571 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.5 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784132 | 69571 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.5 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O | 10.1016/j.bmc.2009.05.069 | |||
54587390 | 69482 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2ccc(F)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1783926 | 69482 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2ccc(F)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
56683703 | 72139 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 3.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829315 | 72139 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 3.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
57403235 | 74600 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 16 | 2 | 8 | 2.2 | COCCN(CCOC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909731 | 74600 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 16 | 2 | 8 | 2.2 | COCCN(CCOC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
56673733 | 72154 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829330 | 72154 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
136000663 | 69477 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc[nH]c2=O)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1783921 | 69477 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc[nH]c2=O)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL2440182 | 217252 | 0 | None | -12 | 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(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 | |||||
10892960 | 59206 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 4 | 2 | 3 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
CHEMBL159070 | 59206 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 4 | 2 | 3 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
CHEMBL3104112 | 217832 | 0 | None | -69 | 3 | Human | 6.2 | pKi | = | 6.2 | 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 | |||||
CHEMBL4279133 | 220172 | 0 | None | -7 | 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](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281010 | 220192 | 0 | None | -316 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | |||||
136000675 | 69925 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784121 | 69925 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1789629 | 69925 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL4279133 | 220172 | 0 | None | -7 | 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](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281010 | 220192 | 0 | None | -316 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | |||||
CHEMBL411117 | 219644 | 0 | None | -2454 | 4 | Human | 6.2 | pKi | = | 6.2 | 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(=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 | |||||
44345854 | 121271 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL333509 | 121271 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(03)00747-9 | |||
76332713 | 112491 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126044 | 112491 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | |||
54583973 | 69559 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 410 | 5 | 1 | 6 | 2.7 | CCOn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784119 | 69559 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 410 | 5 | 1 | 6 | 2.7 | CCOn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | |||
9907999 | 171647 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
CHEMBL422012 | 171647 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | |||
136088971 | 69476 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc(=O)[nH]c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1783920 | 69476 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc(=O)[nH]c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
9821993 | 161839 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 3 | 2.6 | CC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL401726 | 161839 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 3 | 2.6 | CC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
54752621 | 74594 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909725 | 74594 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
3107239 | 185449 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cccc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL467813 | 185449 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cccc32)=C(O)C1 | 10.1021/jm8003587 | |||
155543070 | 179968 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 179968 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | 179968 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | 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 | |||
CHEMBL438914 | 220586 | 16 | None | -275 | 4 | Human | 5.2 | pKi | = | 5.2 | 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](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 | |||||
46913408 | 112501 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126054 | 112501 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
44294739 | 193560 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 442 | 9 | 3 | 5 | 3.6 | O=C(NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL48904 | 193560 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 442 | 9 | 3 | 5 | 3.6 | O=C(NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | |||
44294789 | 195723 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 464 | 10 | 2 | 3 | 4.6 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL50807 | 195723 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 464 | 10 | 2 | 3 | 4.6 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
44295138 | 199971 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL52332 | 199971 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | |||
71461713 | 86420 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 364 | 6 | 1 | 4 | 4.3 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL2115090 | 86420 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 364 | 6 | 1 | 4 | 4.3 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc21 | 10.1016/s0960-894x(03)00329-9 | |||
57396287 | 74764 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 468 | 11 | 2 | 8 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912066 | 74764 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 468 | 11 | 2 | 8 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
57392791 | 74598 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 10 | 2 | 7 | 2.7 | CC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909729 | 74598 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 10 | 2 | 7 | 2.7 | CC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1 | 10.1016/j.bmcl.2011.08.072 | |||
44283050 | 166261 | 0 | None | -17378 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 166261 | 0 | None | -17378 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | 166261 | 0 | None | -17378 | 4 | Human | 5.1 | pKi | = | 5.1 | 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 | |||
CHEMBL4277676 | 220154 | 0 | None | -100 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | |||||
CHEMBL4277676 | 220154 | 0 | None | -100 | 4 | Human | 7.1 | pKi | = | 7.1 | 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 | 220246 | 0 | None | -316 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||||
CHEMBL4291016 | 220284 | 0 | None | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||||
CHEMBL4294418 | 220310 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||||
CHEMBL4287058 | 220246 | 0 | None | -316 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||||
CHEMBL4291016 | 220284 | 0 | None | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||||
CHEMBL4294418 | 220310 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | 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 | |||||
20610119 | 104402 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL270999 | 104402 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
20647096 | 74779 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 10 | 2 | 6 | 3.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912081 | 74779 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 10 | 2 | 6 | 3.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F | 10.1016/j.bmcl.2011.08.072 | |||
9972871 | 209341 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 2 | 1 | 4 | 4.1 | CCn1c2ccccc2c2cc(-c3nc4c[nH]cnc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL61175 | 209341 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 2 | 1 | 4 | 4.1 | CCn1c2ccccc2c2cc(-c3nc4c[nH]cnc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
44345820 | 117408 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
CHEMBL325727 | 117408 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | |||
70683238 | 80262 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.7 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)COc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016736 | 80262 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.7 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)COc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | |||
46913511 | 112489 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.0 | O=C1OCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126042 | 112489 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.0 | O=C1OCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
46913408 | 112500 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126053 | 112500 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
9982218 | 108541 | 6 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | 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 | 108541 | 6 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | 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 | 108541 | 6 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | 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 | |||
9952193 | 107362 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
CHEMBL291666 | 107362 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm025513q | |||
56659888 | 72143 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829319 | 72143 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
10432823 | 69572 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 3.9 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cn(C(F)F)c1=O | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1784133 | 69572 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 3.9 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cn(C(F)F)c1=O | 10.1016/j.bmc.2009.05.069 | |||
54581508 | 69480 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c(=O)c1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1783924 | 69480 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c(=O)c1 | 10.1016/j.bmc.2009.05.069 | |||
54582496 | 69483 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2ccc(Cl)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
CHEMBL1783927 | 69483 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2ccc(Cl)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | |||
44139355 | 193820 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 5 | 1 | 4 | 4.7 | CCC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
CHEMBL490949 | 193820 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 5 | 1 | 4 | 4.7 | CCC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | |||
10205608 | 104839 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2cccc(Br)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL273182 | 104839 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2cccc(Br)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
70687456 | 80094 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.0 | Cc1cc2ccccc2n1CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
CHEMBL2013027 | 80094 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.0 | Cc1cc2ccccc2n1CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | |||
57398082 | 74772 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1912074 | 74772 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
11758930 | 58883 | 3 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 3 | 2 | 2 | 3.7 | Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
CHEMBL158759 | 58883 | 3 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 3 | 2 | 2 | 3.7 | Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
20647090 | 74595 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 9 | 3 | 6 | 1.6 | NS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
CHEMBL1909726 | 74595 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 9 | 3 | 6 | 1.6 | NS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | |||
24950713 | 185579 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(F)cc32)=C(O)C1 | 10.1021/jm8003587 | |||
CHEMBL469041 | 185579 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(F)cc32)=C(O)C1 | 10.1021/jm8003587 | |||
20610117 | 104401 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(Br)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL270997 | 104401 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(Br)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
70683240 | 80267 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 443 | 3 | 1 | 6 | 4.1 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016741 | 80267 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 443 | 3 | 1 | 6 | 4.1 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | |||
24950558 | 195968 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 410 | 3 | 1 | 5 | 5.4 | CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
CHEMBL511264 | 195968 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 410 | 3 | 1 | 5 | 5.4 | CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
70695856 | 80260 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 3 | 2 | 6 | 3.5 | O=C(Nc1ccn(-c2ccccc2F)n1)NC1CCC2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
CHEMBL2016734 | 80260 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 3 | 2 | 6 | 3.5 | O=C(Nc1ccn(-c2ccccc2F)n1)NC1CCC2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | |||
56677042 | 72153 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 2.4 | COc1ccc2c(c1)OCCN2CCN[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829329 | 72153 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 2.4 | COc1ccc2c(c1)OCCN2CCN[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
20610110 | 162131 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccccc2F)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
CHEMBL403282 | 162131 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccccc2F)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | |||
46913512 | 112495 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 4 | 2 | 3 | 3.9 | O=C1NCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126048 | 112495 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 4 | 2 | 3 | 3.9 | O=C1NCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
76310949 | 112499 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.4 | O=C1N(C2CC2)CCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
CHEMBL3126052 | 112499 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.4 | O=C1N(C2CC2)CCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | |||
46209598 | 72156 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 8 | 2 | 5 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(C(F)(F)F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829332 | 72156 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 8 | 2 | 5 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(C(F)(F)F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
11057532 | 60959 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 5 | 2 | 3 | 4.2 | CC(C)Oc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
CHEMBL160722 | 60959 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 5 | 2 | 3 | 4.2 | CC(C)Oc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | |||
9922092 | 107848 | 3 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 3.8 | Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
CHEMBL294822 | 107848 | 3 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 3.8 | Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | |||
9930634 | 185552 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
CHEMBL468846 | 185552 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | |||
44295115 | 200036 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 7 | 3 | 3 | 6.1 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00288-3 | |||
CHEMBL52382 | 200036 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 7 | 3 | 3 | 6.1 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00288-3 | |||
56677040 | 72142 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
CHEMBL1829318 | 72142 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | |||
None | 222835 | 0 | 125I-hPP | -295 | 13 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
126455957 | 222833 | 0 | 125I-hPP | -2 | 5 | Rat | 9.4 | pKi | = | 9.4 | 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 | |||
None | 222837 | 0 | 125I-hPP | -8317 | 8 | Rat | 9.2 | pKi | = | 9.2 | 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 | |||
56841989 | 220199 | 6 | 125I-PYY | -2 | 7 | Human | 9.0 | pKi | = | 9 | 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 | 220199 | 6 | 125I-PYY | -2 | 7 | Human | 9.0 | pKi | = | 9 | 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 | |||||
1562 | 7686 | 13 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | |||
5312114 | 7686 | 13 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | |||
CHEMBL17645 | 7686 | 13 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | |||
CHEMBL195380 | 7686 | 13 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | |||
None | 222835 | 0 | 3H-Propionyl-NPY | -1318 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
21129772 | 176203 | 4 | 125I-PYY | -309 | 9 | Human | 6.0 | pKi | = | 6 | 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 | 176203 | 4 | 125I-PYY | -309 | 9 | Rat | 6.0 | pKi | = | 6 | 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 | 176203 | 4 | 125I-hPP | -309 | 9 | Rat | 6.0 | pKi | = | 6 | 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 | 176203 | 4 | 125I-PYY | -309 | 9 | Human | 6.0 | pKi | = | 6 | 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 | 176203 | 4 | 125I-PYY | -309 | 9 | Rat | 6.0 | pKi | = | 6 | 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 | 176203 | 4 | 125I-hPP | -309 | 9 | Rat | 6.0 | pKi | = | 6 | 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 | 222835 | 0 | 125I-PYY | -331131 | 13 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 223014 | 0 | 125I-hPP | -131 | 3 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 895 | 16 | 5 | 11 | 3.3 | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 | None | |||
None | 223207 | 0 | 125I-hPP | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 643 | 13 | 7 | 5 | 2.5 | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N.C(=O)(C(F)(F)F)O | None | |||
None | 222835 | 0 | 125I-PYY | -1318 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 222837 | 0 | 125I-PYY | -8317 | 8 | Rat | 6.5 | pKi | = | 6.5 | 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 | 222835 | 0 | 125I-PYY | -295 | 13 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | |||||
None | 222837 | 0 | 125I-PYY | -162181 | 8 | Human | 6.4 | pKi | = | 6.4 | 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 | |||
56841989 | 220199 | 6 | 125I-PYY | -17 | 7 | Mouse | 8.3 | pKi | = | 8.3 | 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 | 220199 | 6 | 125I-PYY | -17 | 7 | Mouse | 8.3 | pKi | = | 8.3 | 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 | 222837 | 0 | 125I-PYY | -8317 | 8 | Rat | 7.2 | pKi | = | 7.2 | 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 | |||
1565 | 8988 | 15 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
624746 | 8988 | 15 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
CHEMBL491762 | 8988 | 15 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
1527 | 9084 | 0 | None | -25 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1549 | 9663 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1549 | 9663 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
155817422 | 9663 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
155817422 | 9663 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1504 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1518 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1521 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
24868177 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
44288922 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
77068007 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
90479759 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
CHEMBL438945 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1504 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1518 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1521 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
24868177 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
44288922 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
77068007 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
90479759 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
CHEMBL438945 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1557 | 9660 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
44328226 | 9660 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
CHEMBL439478 | 9660 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1529 | 8632 | 0 | None | -31622 | 5 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
1513 | 9774 | 0 | None | -19952 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1513 | 9774 | 0 | None | -15848 | 6 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1557 | 9660 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
44328226 | 9660 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
CHEMBL439478 | 9660 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1516 | 10016 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1516 | 10016 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
57339564 | 10016 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
57339564 | 10016 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
91898411 | 10016 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
91898411 | 10016 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1507 | 9658 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
44351001 | 9658 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
91929182 | 9658 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
CHEMBL265849 | 9658 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1565 | 8988 | 15 | None | -1 | 2 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
624746 | 8988 | 15 | None | -1 | 2 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
CHEMBL491762 | 8988 | 15 | None | -1 | 2 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | |||
1507 | 9658 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
44351001 | 9658 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
91929182 | 9658 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
CHEMBL265849 | 9658 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1510 | 9666 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
155817418 | 9666 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
16142730 | 9666 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1512 | 9777 | 0 | None | -501 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1554 | 10018 | 0 | None | -2 | 3 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1544 | 8282 | 0 | None | -1 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1544 | 8282 | 0 | None | 1 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1564 | 8893 | 0 | None | - | 1 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 453 | 8 | 2 | 5 | 4.9 | O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2 | 12890716 | |||
73755001 | 8893 | 0 | None | - | 1 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 453 | 8 | 2 | 5 | 4.9 | O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2 | 12890716 | |||
1560 | 7123 | 0 | None | - | 1 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
1554 | 10018 | 0 | None | 2 | 3 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1527 | 9084 | 0 | None | -31 | 5 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1510 | 9666 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
155817418 | 9666 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
16142730 | 9666 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1561 | 9929 | 0 | None | - | 1 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
1512 | 9777 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
1512 | 9777 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1515 | 9826 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
CHEMBL269503 | 9826 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1524 | 9083 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | |||||
1524 | 9083 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1515 | 9826 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
CHEMBL269503 | 9826 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1524 | 9083 | 0 | None | 1 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | |||||
1562 | 7686 | 13 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | |||
5312114 | 7686 | 13 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | |||
CHEMBL17645 | 7686 | 13 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | |||
CHEMBL195380 | 7686 | 13 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 |