BDBM50037460 CHEMBL3356712

SMILES: COc1cc(Oc2ccc3cc2\C=C\CCS(=O)(=O)NC(=O)c2ccccc2NC(=O)[C@H]3NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1

InChI Key: InChIKey=PFVJPYVFECHYKB-VTXRXXNCSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037460   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Nonstructural protein NS3-4A (Hepatitis C virus)	BDBM50037460 (CHEMBL3356712) Show SMILES COc1cc(Oc2ccc3cc2\C=C\CCS(=O)(=O)NC(=O)c2ccccc2NC(=O)[C@H]3NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r,t:13| Show InChI InChI=1S/C35H35N5O8S/c1-35(2,3)48-34(43)39-30-24-17-18-27(47-29-21-28(46-4)37-31(38-29)22-12-6-5-7-13-22)23(20-24)14-10-11-19-49(44,45)40-32(41)25-15-8-9-16-26(25)36-33(30)42/h5-10,12-18,20-21,30H,11,19H2,1-4H3,(H,36,42)(H,39,43)(H,40,41)/b14-10+/t30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay				Bioorg Med Chem 22: 6595-615 (2015) Article DOI: 10.1016/j.bmc.2014.10.010 BindingDB Entry DOI: 10.7270/Q2GX4D50
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