null

SMILES: COc1ccc2nc(Cl)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

InChI Key: InChIKey=HSAIGVGBYWBEFK-QXTLNIPNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50458701   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	BDBM50458701 (CHEMBL4218289) Show SMILES COc1ccc2nc(Cl)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/C35H45ClN6O9S/c1-6-19-17-35(19,32(45)41-52(47,48)23-12-13-23)40-29(43)26-16-22(50-30-28(36)37-24-14-11-21(49-5)15-25(24)38-30)18-42(26)31(44)27(34(2,3)4)39-33(46)51-20-9-7-8-10-20/h6,11,14-15,19-20,22-23,26-27H,1,7-10,12-13,16-18H2,2-5H3,(H,39,46)(H,40,43)(H,41,45)/t19-,22-,26+,27-,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	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)	BDBM50458701 (CHEMBL4218289) Show SMILES COc1ccc2nc(Cl)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/C35H45ClN6O9S/c1-6-19-17-35(19,32(45)41-52(47,48)23-12-13-23)40-29(43)26-16-22(50-30-28(36)37-24-14-11-21(49-5)15-25(24)38-30)18-42(26)31(44)27(34(2,3)4)39-33(46)51-20-9-7-8-10-20/h6,11,14-15,19-20,22-23,26-27H,1,7-10,12-13,16-18H2,2-5H3,(H,39,46)(H,40,43)(H,41,45)/t19-,22-,26+,27-,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	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)	BDBM50458701 (CHEMBL4218289) Show SMILES COc1ccc2nc(Cl)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/C35H45ClN6O9S/c1-6-19-17-35(19,32(45)41-52(47,48)23-12-13-23)40-29(43)26-16-22(50-30-28(36)37-24-14-11-21(49-5)15-25(24)38-30)18-42(26)31(44)27(34(2,3)4)39-33(46)51-20-9-7-8-10-20/h6,11,14-15,19-20,22-23,26-27H,1,7-10,12-13,16-18H2,2-5H3,(H,39,46)(H,40,43)(H,41,45)/t19-,22-,26+,27-,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	99	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