Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50458715'   

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)	BDBM50458715 (CHEMBL4203664) Show SMILES CCc1nc2ccc(OC)cc2nc1O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C37H50N6O9S/c1-7-21-19-37(21,34(46)42-53(48,49)25-14-15-25)41-31(44)29-18-24(51-32-26(8-2)38-27-16-13-23(50-6)17-28(27)39-32)20-43(29)33(45)30(36(3,4)5)40-35(47)52-22-11-9-10-12-22/h7,13,16-17,21-22,24-25,29-30H,1,8-12,14-15,18-20H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t21-,24-,29+,30-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.80	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)	BDBM50458715 (CHEMBL4203664) Show SMILES CCc1nc2ccc(OC)cc2nc1O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C37H50N6O9S/c1-7-21-19-37(21,34(46)42-53(48,49)25-14-15-25)41-31(44)29-18-24(51-32-26(8-2)38-27-16-13-23(50-6)17-28(27)39-32)20-43(29)33(45)30(36(3,4)5)40-35(47)52-22-11-9-10-12-22/h7,13,16-17,21-22,24-25,29-30H,1,8-12,14-15,18-20H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t21-,24-,29+,30-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	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)	BDBM50458715 (CHEMBL4203664) Show SMILES CCc1nc2ccc(OC)cc2nc1O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C37H50N6O9S/c1-7-21-19-37(21,34(46)42-53(48,49)25-14-15-25)41-31(44)29-18-24(51-32-26(8-2)38-27-16-13-23(50-6)17-28(27)39-32)20-43(29)33(45)30(36(3,4)5)40-35(47)52-22-11-9-10-12-22/h7,13,16-17,21-22,24-25,29-30H,1,8-12,14-15,18-20H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t21-,24-,29+,30-,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	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