Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50158833'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (Hepatitis C virus)	BDBM50158833 ((1R,2R)-2-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@H]1C(O)=O)C(N)=O Show InChI InChI=1S/C27H44N4O8/c1-15(2)12-19(23(28)34)29-26(37)21(14-22(32)33)31-25(36)20(13-16-8-4-3-5-9-16)30-24(35)17-10-6-7-11-18(17)27(38)39/h15-21H,3-14H2,1-2H3,(H2,28,34)(H,29,37)(H,30,35)(H,31,36)(H,32,33)(H,38,39)/t17-,18-,19+,20+,21+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
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