Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50461555'   

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)	BDBM50461555 (CHEMBL4225768) Show SMILES COC(=O)[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O10S/c1-10-22-19-38(22,34(48)43-55(50,51)25-12-13-25)42-30(45)27-18-24(54-31-26-14-11-23(52-8)17-21(26)15-16-39-31)20-44(27)32(46)28(36(2,3)4)40-35(49)41-29(33(47)53-9)37(5,6)7/h10-11,14-17,22,24-25,27-29H,1,12-13,18-20H2,2-9H3,(H,42,45)(H,43,48)(H2,40,41,49)/t22-,24-,27+,28-,29-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.340	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)	BDBM50461555 (CHEMBL4225768) Show SMILES COC(=O)[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O10S/c1-10-22-19-38(22,34(48)43-55(50,51)25-12-13-25)42-30(45)27-18-24(54-31-26-14-11-23(52-8)17-21(26)15-16-39-31)20-44(27)32(46)28(36(2,3)4)40-35(49)41-29(33(47)53-9)37(5,6)7/h10-11,14-17,22,24-25,27-29H,1,12-13,18-20H2,2-9H3,(H,42,45)(H,43,48)(H2,40,41,49)/t22-,24-,27+,28-,29-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	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)	BDBM50461555 (CHEMBL4225768) Show SMILES COC(=O)[C@@H](NC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O10S/c1-10-22-19-38(22,34(48)43-55(50,51)25-12-13-25)42-30(45)27-18-24(54-31-26-14-11-23(52-8)17-21(26)15-16-39-31)20-44(27)32(46)28(36(2,3)4)40-35(49)41-29(33(47)53-9)37(5,6)7/h10-11,14-17,22,24-25,27-29H,1,12-13,18-20H2,2-9H3,(H,42,45)(H,43,48)(H2,40,41,49)/t22-,24-,27+,28-,29-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	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