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)C3(C)CC3)nc2c1

InChI Key: InChIKey=NINRBNHZUYJLQV-WSYWXHBISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50458710   

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)	BDBM50458710 (CHEMBL4210850) 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)C3(C)CC3)nc2c1 |r| Show InChI InChI=1S/C36H47ClN6O9S/c1-7-20-18-36(20,32(46)42-53(48,49)35(5)14-15-35)41-29(44)26-17-23(51-30-28(37)38-24-13-12-22(50-6)16-25(24)39-30)19-43(26)31(45)27(34(2,3)4)40-33(47)52-21-10-8-9-11-21/h7,12-13,16,20-21,23,26-27H,1,8-11,14-15,17-19H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t20-,23-,26+,27-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	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)	BDBM50458710 (CHEMBL4210850) 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)C3(C)CC3)nc2c1 |r| Show InChI InChI=1S/C36H47ClN6O9S/c1-7-20-18-36(20,32(46)42-53(48,49)35(5)14-15-35)41-29(44)26-17-23(51-30-28(37)38-24-13-12-22(50-6)16-25(24)39-30)19-43(26)31(45)27(34(2,3)4)40-33(47)52-21-10-8-9-11-21/h7,12-13,16,20-21,23,26-27H,1,8-11,14-15,17-19H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t20-,23-,26+,27-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	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 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)	BDBM50458710 (CHEMBL4210850) 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)C3(C)CC3)nc2c1 |r| Show InChI InChI=1S/C36H47ClN6O9S/c1-7-20-18-36(20,32(46)42-53(48,49)35(5)14-15-35)41-29(44)26-17-23(51-30-28(37)38-24-13-12-22(50-6)16-25(24)39-30)19-43(26)31(45)27(34(2,3)4)40-33(47)52-21-10-8-9-11-21/h7,12-13,16,20-21,23,26-27H,1,8-11,14-15,17-19H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t20-,23-,26+,27-,36-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	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