Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50458696'   

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)	BDBM50458696 (CHEMBL4217345) Show SMILES CCc1nc2ccc(OC)cc2nc1O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1 |r| Show InChI InChI=1S/C37H52N6O9S/c1-11-21-19-37(21,32(46)42-53(48,49)36(9)15-16-36)41-29(44)27-18-23(51-30-24(12-2)38-25-14-13-22(50-10)17-26(25)39-30)20-43(27)31(45)28(34(3,4)5)40-33(47)52-35(6,7)8/h11,13-14,17,21,23,27-28H,1,12,15-16,18-20H2,2-10H3,(H,40,47)(H,41,44)(H,42,46)/t21-,23-,27+,28-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease R155K mutant expressed in Escherichia coli BL21(DE3) using Ac-DE-Dap(QXL 520)-EE-Abu-psi-[COO]AS-C(5-FA...				ACS Med Chem Lett 9: 691-696 (2018) Article DOI: 10.1021/acsmedchemlett.8b00150 BindingDB Entry DOI: 10.7270/Q29C7125
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50458696 (CHEMBL4217345) Show SMILES CCc1nc2ccc(OC)cc2nc1O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1 |r| Show InChI InChI=1S/C37H52N6O9S/c1-11-21-19-37(21,32(46)42-53(48,49)36(9)15-16-36)41-29(44)27-18-23(51-30-24(12-2)38-25-14-13-22(50-10)17-26(25)39-30)20-43(27)31(45)28(34(3,4)5)40-33(47)52-35(6,7)8/h11,13-14,17,21,23,27-28H,1,12,15-16,18-20H2,2-10H3,(H,40,47)(H,41,44)(H,42,46)/t21-,23-,27+,28-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of wild type HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) using Ac-DE-Dap(QXL 520)-EE-Abu-psi-[COO]AS-C(5-FAMsp...				ACS Med Chem Lett 9: 691-696 (2018) Article DOI: 10.1021/acsmedchemlett.8b00150 BindingDB Entry DOI: 10.7270/Q29C7125
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50458696 (CHEMBL4217345) Show SMILES CCc1nc2ccc(OC)cc2nc1O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1 |r| Show InChI InChI=1S/C37H52N6O9S/c1-11-21-19-37(21,32(46)42-53(48,49)36(9)15-16-36)41-29(44)27-18-23(51-30-24(12-2)38-25-14-13-22(50-10)17-26(25)39-30)20-43(27)31(45)28(34(3,4)5)40-33(47)52-35(6,7)8/h11,13-14,17,21,23,27-28H,1,12,15-16,18-20H2,2-10H3,(H,40,47)(H,41,44)(H,42,46)/t21-,23-,27+,28-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	385	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a NS3/4A protease D168A mutant expressed in Escherichia coli BL21(DE3) using Ac-DE-Dap(QXL 520)-EE-Abu-psi-[COO]AS-C(5-FA...				ACS Med Chem Lett 9: 691-696 (2018) Article DOI: 10.1021/acsmedchemlett.8b00150 BindingDB Entry DOI: 10.7270/Q29C7125
					More data for this Ligand-Target Pair