Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50461540'   

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)	BDBM50461540 (CHEMBL4226033) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(O)=O)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/C37H50N6O10S/c1-9-21-18-37(21,33(48)42-54(50,51)24-11-12-24)41-29(44)26-17-23(53-30-25-13-10-22(52-8)16-20(25)14-15-38-30)19-43(26)31(45)27(35(2,3)4)39-34(49)40-28(32(46)47)36(5,6)7/h9-10,13-16,21,23-24,26-28H,1,11-12,17-19H2,2-8H3,(H,41,44)(H,42,48)(H,46,47)(H2,39,40,49)/t21-,23-,26+,27-,28-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	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)	BDBM50461540 (CHEMBL4226033) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(O)=O)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/C37H50N6O10S/c1-9-21-18-37(21,33(48)42-54(50,51)24-11-12-24)41-29(44)26-17-23(53-30-25-13-10-22(52-8)16-20(25)14-15-38-30)19-43(26)31(45)27(35(2,3)4)39-34(49)40-28(32(46)47)36(5,6)7/h9-10,13-16,21,23-24,26-28H,1,11-12,17-19H2,2-8H3,(H,41,44)(H,42,48)(H,46,47)(H2,39,40,49)/t21-,23-,26+,27-,28-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	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)	BDBM50461540 (CHEMBL4226033) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(O)=O)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/C37H50N6O10S/c1-9-21-18-37(21,33(48)42-54(50,51)24-11-12-24)41-29(44)26-17-23(53-30-25-13-10-22(52-8)16-20(25)14-15-38-30)19-43(26)31(45)27(35(2,3)4)39-34(49)40-28(32(46)47)36(5,6)7/h9-10,13-16,21,23-24,26-28H,1,11-12,17-19H2,2-8H3,(H,41,44)(H,42,48)(H,46,47)(H2,39,40,49)/t21-,23-,26+,27-,28-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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