Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50461554'   

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)	BDBM50461554 (CHEMBL4225514) Show SMILES CC[C@H](C)[C@@H](COC)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 |r| Show InChI InChI=1S/C38H54N6O9S/c1-9-22(3)29(21-51-7)40-36(48)41-31(37(4,5)6)34(46)44-20-26(53-33-28-14-11-25(52-8)17-23(28)15-16-39-33)18-30(44)32(45)42-38(19-24(38)10-2)35(47)43-54(49,50)27-12-13-27/h10-11,14-17,22,24,26-27,29-31H,2,9,12-13,18-21H2,1,3-8H3,(H,42,45)(H,43,47)(H2,40,41,48)/t22-,24+,26+,29+,30-,31+,38+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	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)	BDBM50461554 (CHEMBL4225514) Show SMILES CC[C@H](C)[C@@H](COC)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 |r| Show InChI InChI=1S/C38H54N6O9S/c1-9-22(3)29(21-51-7)40-36(48)41-31(37(4,5)6)34(46)44-20-26(53-33-28-14-11-25(52-8)17-23(28)15-16-39-33)18-30(44)32(45)42-38(19-24(38)10-2)35(47)43-54(49,50)27-12-13-27/h10-11,14-17,22,24,26-27,29-31H,2,9,12-13,18-21H2,1,3-8H3,(H,42,45)(H,43,47)(H2,40,41,48)/t22-,24+,26+,29+,30-,31+,38+/m0/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 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)	BDBM50461554 (CHEMBL4225514) Show SMILES CC[C@H](C)[C@@H](COC)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 |r| Show InChI InChI=1S/C38H54N6O9S/c1-9-22(3)29(21-51-7)40-36(48)41-31(37(4,5)6)34(46)44-20-26(53-33-28-14-11-25(52-8)17-23(28)15-16-39-33)18-30(44)32(45)42-38(19-24(38)10-2)35(47)43-54(49,50)27-12-13-27/h10-11,14-17,22,24,26-27,29-31H,2,9,12-13,18-21H2,1,3-8H3,(H,42,45)(H,43,47)(H2,40,41,48)/t22-,24+,26+,29+,30-,31+,38+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	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