null

SMILES: CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1

InChI Key: InChIKey=JEXBFVYJJWHBRA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 235878   

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 [1027-1711] (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...				US Patent US9364482 (2016) BindingDB Entry DOI: 10.7270/Q2TT4PVB
					More data for this Ligand-Target Pair
Genome polyprotein [1027-1711] (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to...				US Patent US9364482 (2016) BindingDB Entry DOI: 10.7270/Q2TT4PVB
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1b by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Non-nucleoside inhibition of NS5B polymerase in HCV genotype 3a by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Non-nucleoside inhibition of NS5B polymerase C316Y mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM235878 (US9364482, 53) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2nc(COC)n(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N4O6S/c1-38-34(42)32-27-16-25(29(40(2)48(4,44)45)17-30(27)47-33(32)21-7-12-24(37)13-8-21)22-9-14-28-26(15-22)35(43)41(31(39-28)19-46-3)18-20-5-10-23(36)11-6-20/h5-17H,18-19H2,1-4H3,(H,38,42)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2a by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair