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BDBM50410385 CHEMBL433963

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)C1C[C@@H](C[C@H]1C(=O)CC1(CC1)C(O)=O)Oc1ccc(Cl)c2cccnc12

InChI Key: InChIKey=CNRRQVVJSUFQIH-CAFFMUHASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410385   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Hepatitis C virus (HCV))
BDBM50410385
PNG
(CHEMBL433963)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)C1C[C@@H](C[C@H]1C(=O)CC1(CC1)C(O)=O)Oc1ccc(Cl)c2cccnc12
Show InChI InChI=1S/C35H44ClN3O7/c1-19(2)29(39-33(43)30(38-20(3)40)21-8-5-4-6-9-21)32(42)25-17-22(16-24(25)27(41)18-35(13-14-35)34(44)45)46-28-12-11-26(36)23-10-7-15-37-31(23)28/h7,10-12,15,19,21-22,24-25,29-30H,4-6,8-9,13-14,16-18H2,1-3H3,(H,38,40)(H,39,43)(H,44,45)/t22-,24-,25?,29+,30+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



IMIM/Universitat Pompeu Fabra

Curated by ChEMBL


Assay Description
Inhibitory concentration against hepatitis C virus NS3 protease (IC50 spans 2.5 log units)


J Med Chem 48: 2687-94 (2005)


Article DOI: 10.1021/jm049113+
BindingDB Entry DOI: 10.7270/Q29S1QH4
More data for this
Ligand-Target Pair