Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50103849'   

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)	BDBM50103849 (2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-meth...) Show SMILES Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NCCc1ccc(OCC(=O)NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C33H30N6O5S/c1-39-29-19-23(13-16-28(29)37-31(39)20-30-35-26-9-5-6-10-27(26)36-30)33(41)34-18-17-22-11-14-24(15-12-22)44-21-32(40)38-45(42,43)25-7-3-2-4-8-25/h2-16,19H,17-18,20-21H2,1H3,(H,34,41)(H,35,36)(H,38,40)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.				Bioorg Med Chem Lett 11: 2355-9 (2001) BindingDB Entry DOI: 10.7270/Q2N015TQ
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