null

SMILES: COc1ccc2nc(C(C)C)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

InChI Key: InChIKey=ORROVABYFNDCDM-LLGZXCCCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50458714   

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)	BDBM50458714 (CHEMBL4212922) Show SMILES COc1ccc2nc(C(C)C)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 |r| Show InChI InChI=1S/C38H54N6O9S/c1-12-22-19-38(22,33(47)43-54(49,50)37(10)15-16-37)42-30(45)27-18-24(20-44(27)32(46)29(35(4,5)6)41-34(48)53-36(7,8)9)52-31-28(21(2)3)39-25-14-13-23(51-11)17-26(25)40-31/h12-14,17,21-22,24,27,29H,1,15-16,18-20H2,2-11H3,(H,41,48)(H,42,45)(H,43,47)/t22-,24-,27+,29-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	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)	BDBM50458714 (CHEMBL4212922) Show SMILES COc1ccc2nc(C(C)C)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 |r| Show InChI InChI=1S/C38H54N6O9S/c1-12-22-19-38(22,33(47)43-54(49,50)37(10)15-16-37)42-30(45)27-18-24(20-44(27)32(46)29(35(4,5)6)41-34(48)53-36(7,8)9)52-31-28(21(2)3)39-25-14-13-23(51-11)17-26(25)40-31/h12-14,17,21-22,24,27,29H,1,15-16,18-20H2,2-11H3,(H,41,48)(H,42,45)(H,43,47)/t22-,24-,27+,29-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	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)	BDBM50458714 (CHEMBL4212922) Show SMILES COc1ccc2nc(C(C)C)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 |r| Show InChI InChI=1S/C38H54N6O9S/c1-12-22-19-38(22,33(47)43-54(49,50)37(10)15-16-37)42-30(45)27-18-24(20-44(27)32(46)29(35(4,5)6)41-34(48)53-36(7,8)9)52-31-28(21(2)3)39-25-14-13-23(51-11)17-26(25)40-31/h12-14,17,21-22,24,27,29H,1,15-16,18-20H2,2-11H3,(H,41,48)(H,42,45)(H,43,47)/t22-,24-,27+,29-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.18E+3	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