Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50158796'   

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)	BDBM50158796 (AcAsp-D-Glu-Leu-Glu-Cha-Cys | CHEMBL360025) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C35H56N6O14S/c1-17(2)14-23(39-30(48)22(11-13-27(45)46)38-33(51)28(36-19(4)42)18(3)34(52)53)31(49)37-21(10-12-26(43)44)29(47)40-24(15-20-8-6-5-7-9-20)32(50)41-25(16-56)35(54)55/h17-18,20-25,28,56H,5-16H2,1-4H3,(H,36,42)(H,37,49)(H,38,51)(H,39,48)(H,40,47)(H,41,50)(H,43,44)(H,45,46)(H,52,53)(H,54,55)/t18?,21-,22+,23-,24-,25-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant 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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