Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50461541'   

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/Non-structural protein 4A (Hepatitis C virus)	BDBM50461541 (CHEMBL4225301) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@@H](C)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C37H52N6O8S/c1-10-23-19-37(23,33(46)42-52(48,49)26-12-13-26)41-30(44)28-18-25(51-31-27-14-11-24(50-9)17-22(27)15-16-38-31)20-43(28)32(45)29(36(6,7)8)40-34(47)39-21(2)35(3,4)5/h10-11,14-17,21,23,25-26,28-29H,1,12-13,18-20H2,2-9H3,(H,41,44)(H,42,46)(H2,39,40,47)/t21-,23+,25+,28-,29+,37+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461541 (CHEMBL4225301) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@@H](C)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C37H52N6O8S/c1-10-23-19-37(23,33(46)42-52(48,49)26-12-13-26)41-30(44)28-18-25(51-31-27-14-11-24(50-9)17-22(27)15-16-38-31)20-43(28)32(45)29(36(6,7)8)40-34(47)39-21(2)35(3,4)5/h10-11,14-17,21,23,25-26,28-29H,1,12-13,18-20H2,2-9H3,(H,41,44)(H,42,46)(H2,39,40,47)/t21-,23+,25+,28-,29+,37+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His tagged recombinant HCV genotype 2b NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461541 (CHEMBL4225301) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@@H](C)C(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nccc2c1 |r| Show InChI InChI=1S/C37H52N6O8S/c1-10-23-19-37(23,33(46)42-52(48,49)26-12-13-26)41-30(44)28-18-25(51-31-27-14-11-24(50-9)17-22(27)15-16-38-31)20-43(28)32(45)29(36(6,7)8)40-34(47)39-21(2)35(3,4)5/h10-11,14-17,21,23,25-26,28-29H,1,12-13,18-20H2,2-9H3,(H,41,44)(H,42,46)(H2,39,40,47)/t21-,23+,25+,28-,29+,37+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of N-terminal poly-His tagged recombinant HCV genotype 3a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...				Bioorg Med Chem Lett 28: 1853-1859 (2018) Article DOI: 10.1016/j.bmcl.2018.04.009 BindingDB Entry DOI: 10.7270/Q2NP272Z
					More data for this Ligand-Target Pair