BDBM235890 US9364482, 71

SMILES: CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1

InChI Key: InChIKey=YQSZHQDSWAVRIF-UHFFFAOYSA-N

Data: 2 IC50  8 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 235890   

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
NS3/4A protease (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.49	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
NS3-NS4A Protease (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.782	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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	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 1a by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.60	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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	12	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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	0.700	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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	0.400	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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	4.60	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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM235890 (US9364482, 71) Show SMILES CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc(OC)c2nnn(Cc3ccc(F)cc3)c(=O)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H27F2N5O6S/c1-36-32(41)29-24-15-23(26(39(2)47(4,43)44)16-27(24)46-31(29)19-7-11-22(35)12-8-19)20-13-25-30(28(14-20)45-3)37-38-40(33(25)42)17-18-5-9-21(34)10-6-18/h5-16H,17H2,1-4H3,(H,36,41)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	3.90	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