null

SMILES: COc1ccc2nc(c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nc2c1)C(F)(F)F

InChI Key: InChIKey=WTSRZSYGCVJMOO-FVYLLSDRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50458713   

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)	BDBM50458713 (CHEMBL4214954) Show SMILES COc1ccc2nc(c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C35H45F3N6O9S/c1-9-18-16-34(18,30(47)43-54(49,50)21-11-12-21)42-27(45)24-15-20(17-44(24)29(46)26(32(2,3)4)41-31(48)53-33(5,6)7)52-28-25(35(36,37)38)39-22-13-10-19(51-8)14-23(22)40-28/h9-10,13-14,18,20-21,24,26H,1,11-12,15-17H2,2-8H3,(H,41,48)(H,42,45)(H,43,47)/t18-,20-,24+,26-,34-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	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)	BDBM50458713 (CHEMBL4214954) Show SMILES COc1ccc2nc(c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C35H45F3N6O9S/c1-9-18-16-34(18,30(47)43-54(49,50)21-11-12-21)42-27(45)24-15-20(17-44(24)29(46)26(32(2,3)4)41-31(48)53-33(5,6)7)52-28-25(35(36,37)38)39-22-13-10-19(51-8)14-23(22)40-28/h9-10,13-14,18,20-21,24,26H,1,11-12,15-17H2,2-8H3,(H,41,48)(H,42,45)(H,43,47)/t18-,20-,24+,26-,34-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	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)	BDBM50458713 (CHEMBL4214954) Show SMILES COc1ccc2nc(c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C35H45F3N6O9S/c1-9-18-16-34(18,30(47)43-54(49,50)21-11-12-21)42-27(45)24-15-20(17-44(24)29(46)26(32(2,3)4)41-31(48)53-33(5,6)7)52-28-25(35(36,37)38)39-22-13-10-19(51-8)14-23(22)40-28/h9-10,13-14,18,20-21,24,26H,1,11-12,15-17H2,2-8H3,(H,41,48)(H,42,45)(H,43,47)/t18-,20-,24+,26-,34-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	723	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