Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50461549'   

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)	BDBM50461549 (CHEMBL4225009) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(=O)NCc3ccccc3)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/C44H57N7O9S/c1-9-28-23-44(28,40(55)50-61(57,58)31-16-17-31)49-36(52)33-22-30(60-38-32-18-15-29(59-8)21-27(32)19-20-45-38)25-51(33)39(54)35(43(5,6)7)48-41(56)47-34(42(2,3)4)37(53)46-24-26-13-11-10-12-14-26/h9-15,18-21,28,30-31,33-35H,1,16-17,22-25H2,2-8H3,(H,46,53)(H,49,52)(H,50,55)(H2,47,48,56)/t28-,30-,33+,34-,35-,44-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	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)	BDBM50461549 (CHEMBL4225009) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(=O)NCc3ccccc3)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/C44H57N7O9S/c1-9-28-23-44(28,40(55)50-61(57,58)31-16-17-31)49-36(52)33-22-30(60-38-32-18-15-29(59-8)21-27(32)19-20-45-38)25-51(33)39(54)35(43(5,6)7)48-41(56)47-34(42(2,3)4)37(53)46-24-26-13-11-10-12-14-26/h9-15,18-21,28,30-31,33-35H,1,16-17,22-25H2,2-8H3,(H,46,53)(H,49,52)(H,50,55)(H2,47,48,56)/t28-,30-,33+,34-,35-,44-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50461549 (CHEMBL4225009) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)N[C@H](C(=O)NCc3ccccc3)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/C44H57N7O9S/c1-9-28-23-44(28,40(55)50-61(57,58)31-16-17-31)49-36(52)33-22-30(60-38-32-18-15-29(59-8)21-27(32)19-20-45-38)25-51(33)39(54)35(43(5,6)7)48-41(56)47-34(42(2,3)4)37(53)46-24-26-13-11-10-12-14-26/h9-15,18-21,28,30-31,33-35H,1,16-17,22-25H2,2-8H3,(H,46,53)(H,49,52)(H,50,55)(H2,47,48,56)/t28-,30-,33+,34-,35-,44-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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