Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50458706'   

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)	BDBM50458706 (CHEMBL4202535) Show SMILES COc1ccc2nc(c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3(C)CC3)nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C37H47F3N6O9S/c1-7-20-18-36(20,32(49)45-56(51,52)35(5)14-15-35)44-29(47)26-17-23(54-30-27(37(38,39)40)41-24-13-12-22(53-6)16-25(24)42-30)19-46(26)31(48)28(34(2,3)4)43-33(50)55-21-10-8-9-11-21/h7,12-13,16,20-21,23,26,28H,1,8-11,14-15,17-19H2,2-6H3,(H,43,50)(H,44,47)(H,45,49)/t20-,23-,26+,28-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	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)	BDBM50458706 (CHEMBL4202535) Show SMILES COc1ccc2nc(c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3(C)CC3)nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C37H47F3N6O9S/c1-7-20-18-36(20,32(49)45-56(51,52)35(5)14-15-35)44-29(47)26-17-23(54-30-27(37(38,39)40)41-24-13-12-22(53-6)16-25(24)42-30)19-46(26)31(48)28(34(2,3)4)43-33(50)55-21-10-8-9-11-21/h7,12-13,16,20-21,23,26,28H,1,8-11,14-15,17-19H2,2-6H3,(H,43,50)(H,44,47)(H,45,49)/t20-,23-,26+,28-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	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)	BDBM50458706 (CHEMBL4202535) Show SMILES COc1ccc2nc(c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3(C)CC3)nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C37H47F3N6O9S/c1-7-20-18-36(20,32(49)45-56(51,52)35(5)14-15-35)44-29(47)26-17-23(54-30-27(37(38,39)40)41-24-13-12-22(53-6)16-25(24)42-30)19-46(26)31(48)28(34(2,3)4)43-33(50)55-21-10-8-9-11-21/h7,12-13,16,20-21,23,26,28H,1,8-11,14-15,17-19H2,2-6H3,(H,43,50)(H,44,47)(H,45,49)/t20-,23-,26+,28-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	516	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