BDBM50037449 CHEMBL3356719

SMILES: CCC[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)OCC\C=C\c2cc(Oc3ccc1cc3)nc(n2)-c1ccccc1)C(C)(C)C)C(=O)NS(=O)(=O)CCCC=C

InChI Key: InChIKey=KZEAARACWGXDEH-FDQVJXDGSA-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 = 50037449   

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)	BDBM50037449 (CHEMBL3356719) Show SMILES CCC[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)OCC\C=C\c2cc(Oc3ccc1cc3)nc(n2)-c1ccccc1)C(C)(C)C)C(=O)NS(=O)(=O)CCCC=C |r,t:18| Show InChI InChI=1S/C39H48N6O8S/c1-6-8-14-24-54(50,51)45-35(46)30(15-7-2)41-36(47)32-26-19-21-29(22-20-26)53-31-25-28(40-34(42-31)27-16-10-9-11-17-27)18-12-13-23-52-38(49)44-33(37(48)43-32)39(3,4)5/h6,9-12,16-22,25,30,32-33H,1,7-8,13-15,23-24H2,2-5H3,(H,41,47)(H,43,48)(H,44,49)(H,45,46)/b18-12+/t30-,32-,33+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.57E+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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