Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM12472'   

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 (HCV genotype 1a, isolate H))	BDBM12472 (2-(3-{[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-d...) Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C32H44N4O9/c1-2-8-24(29(40)31(42)33-18-27(38)39)34-30(41)25-17-23-19-36(25)32(43)28(21-10-4-3-5-11-21)35-26(37)16-20-9-6-12-22(15-20)44-13-7-14-45-23/h6,9,12,15,21,23-25,28H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H,33,42)(H,34,41)(H,35,37)(H,38,39)/t23-,24?,25+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7.40E+3	-29.8	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				J Med Chem 49: 995-1005 (2006) Article DOI: 10.1021/jm050820s BindingDB Entry DOI: 10.7270/Q2H70D13
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