Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50458697'   

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)	BDBM50458697 (CHEMBL4204206) Show SMILES COc1ccc2nc(C)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)C3CC3)nc2c1 |r| Show InChI InChI=1S/C36H48N6O9S/c1-7-21-18-36(21,33(45)41-52(47,48)25-13-14-25)40-30(43)28-17-24(50-31-20(2)37-26-15-12-23(49-6)16-27(26)38-31)19-42(28)32(44)29(35(3,4)5)39-34(46)51-22-10-8-9-11-22/h7,12,15-16,21-22,24-25,28-29H,1,8-11,13-14,17-19H2,2-6H3,(H,39,46)(H,40,43)(H,41,45)/t21-,24-,28+,29-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	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)	BDBM50458697 (CHEMBL4204206) Show SMILES COc1ccc2nc(C)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)C3CC3)nc2c1 |r| Show InChI InChI=1S/C36H48N6O9S/c1-7-21-18-36(21,33(45)41-52(47,48)25-13-14-25)40-30(43)28-17-24(50-31-20(2)37-26-15-12-23(49-6)16-27(26)38-31)19-42(28)32(44)29(35(3,4)5)39-34(46)51-22-10-8-9-11-22/h7,12,15-16,21-22,24-25,28-29H,1,8-11,13-14,17-19H2,2-6H3,(H,39,46)(H,40,43)(H,41,45)/t21-,24-,28+,29-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60	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)	BDBM50458697 (CHEMBL4204206) Show SMILES COc1ccc2nc(C)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)C3CC3)nc2c1 |r| Show InChI InChI=1S/C36H48N6O9S/c1-7-21-18-36(21,33(45)41-52(47,48)25-13-14-25)40-30(43)28-17-24(50-31-20(2)37-26-15-12-23(49-6)16-27(26)38-31)19-42(28)32(44)29(35(3,4)5)39-34(46)51-22-10-8-9-11-22/h7,12,15-16,21-22,24-25,28-29H,1,8-11,13-14,17-19H2,2-6H3,(H,39,46)(H,40,43)(H,41,45)/t21-,24-,28+,29-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	144	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