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)C3(C)CC3)nc2c1)C(F)(F)F

InChI Key: InChIKey=DMKDCOBBFZOCLU-FJSCAPAMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50458708   

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)	BDBM50458708 (CHEMBL4208541) 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)C3(C)CC3)nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C36H47F3N6O9S/c1-10-19-17-35(19,30(48)44-55(50,51)34(8)13-14-34)43-27(46)24-16-21(18-45(24)29(47)26(32(2,3)4)42-31(49)54-33(5,6)7)53-28-25(36(37,38)39)40-22-12-11-20(52-9)15-23(22)41-28/h10-12,15,19,21,24,26H,1,13-14,16-18H2,2-9H3,(H,42,49)(H,43,46)(H,44,48)/t19-,21-,24+,26-,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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)	BDBM50458708 (CHEMBL4208541) 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)C3(C)CC3)nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C36H47F3N6O9S/c1-10-19-17-35(19,30(48)44-55(50,51)34(8)13-14-34)43-27(46)24-16-21(18-45(24)29(47)26(32(2,3)4)42-31(49)54-33(5,6)7)53-28-25(36(37,38)39)40-22-12-11-20(52-9)15-23(22)41-28/h10-12,15,19,21,24,26H,1,13-14,16-18H2,2-9H3,(H,42,49)(H,43,46)(H,44,48)/t19-,21-,24+,26-,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	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)	BDBM50458708 (CHEMBL4208541) 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)C3(C)CC3)nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C36H47F3N6O9S/c1-10-19-17-35(19,30(48)44-55(50,51)34(8)13-14-34)43-27(46)24-16-21(18-45(24)29(47)26(32(2,3)4)42-31(49)54-33(5,6)7)53-28-25(36(37,38)39)40-22-12-11-20(52-9)15-23(22)41-28/h10-12,15,19,21,24,26H,1,13-14,16-18H2,2-9H3,(H,42,49)(H,43,46)(H,44,48)/t19-,21-,24+,26-,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	513	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