Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50461543'   

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)	BDBM50461543 (CHEMBL4229158) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N(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)cc(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C42H54N6O8S/c1-10-26-23-42(26,38(51)46-57(53,54)29-17-18-29)45-36(49)33-21-28(24-48(33)37(50)35(40(2,3)4)44-39(52)47(8)41(5,6)7)56-34-22-31(25-14-12-11-13-15-25)43-32-20-27(55-9)16-19-30(32)34/h10-16,19-20,22,26,28-29,33,35H,1,17-18,21,23-24H2,2-9H3,(H,44,52)(H,45,49)(H,46,51)/t26-,28-,33+,35-,42-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	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)	BDBM50461543 (CHEMBL4229158) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N(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)cc(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C42H54N6O8S/c1-10-26-23-42(26,38(51)46-57(53,54)29-17-18-29)45-36(49)33-21-28(24-48(33)37(50)35(40(2,3)4)44-39(52)47(8)41(5,6)7)56-34-22-31(25-14-12-11-13-15-25)43-32-20-27(55-9)16-19-30(32)34/h10-16,19-20,22,26,28-29,33,35H,1,17-18,21,23-24H2,2-9H3,(H,44,52)(H,45,49)(H,46,51)/t26-,28-,33+,35-,42-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	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)	BDBM50461543 (CHEMBL4229158) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N(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)cc(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C42H54N6O8S/c1-10-26-23-42(26,38(51)46-57(53,54)29-17-18-29)45-36(49)33-21-28(24-48(33)37(50)35(40(2,3)4)44-39(52)47(8)41(5,6)7)56-34-22-31(25-14-12-11-13-15-25)43-32-20-27(55-9)16-19-30(32)34/h10-16,19-20,22,26,28-29,33,35H,1,17-18,21,23-24H2,2-9H3,(H,44,52)(H,45,49)(H,46,51)/t26-,28-,33+,35-,42-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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