BDBM50037497 CHEMBL3356704

SMILES: COc1cc(Oc2ccc(cc2)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1

InChI Key: InChIKey=BJHYKAIRMZXQJV-HKBQPEDESA-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 = 50037497   

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)	BDBM50037497 (CHEMBL3356704) Show SMILES COc1cc(Oc2ccc(cc2)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C36H39N5O8S/c1-6-7-13-22-50(45,46)41-33(42)27-16-11-12-17-28(27)37-34(43)31(40-35(44)49-36(2,3)4)24-18-20-26(21-19-24)48-30-23-29(47-5)38-32(39-30)25-14-9-8-10-15-25/h6,8-12,14-21,23,31H,1,7,13,22H2,2-5H3,(H,37,43)(H,40,44)(H,41,42)/t31-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	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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