BDBM50176475 ((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyran-1-yl)-acetic acid::CHEMBL380997

SMILES: CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21

InChI Key: InChIKey=XEPYXSNMTYAXLO-GOSISDBHSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 50176475   

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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50176475 (((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydr...) Show SMILES CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21 Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m1/s1	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 457-60 (2005) Article DOI: 10.1016/j.bmcl.2005.08.114 BindingDB Entry DOI: 10.7270/Q25X28H8
					More data for this Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50176475 (((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydr...) Show SMILES CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21 Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m1/s1	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Reduction of viral RNA and protein in Huh7 cells containing HCV sub-genomic replicon				Bioorg Med Chem Lett 16: 457-60 (2005) Article DOI: 10.1016/j.bmcl.2005.08.114 BindingDB Entry DOI: 10.7270/Q25X28H8
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50176475 (((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydr...) Show SMILES CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21 Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of HIV reverse transcriptase				Bioorg Med Chem Lett 16: 457-60 (2005) Article DOI: 10.1016/j.bmcl.2005.08.114 BindingDB Entry DOI: 10.7270/Q25X28H8
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50176475 (((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydr...) Show SMILES CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21 Show InChI InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of HCV NS3 helicase				Bioorg Med Chem Lett 16: 457-60 (2005) Article DOI: 10.1016/j.bmcl.2005.08.114 BindingDB Entry DOI: 10.7270/Q25X28H8
					More data for this Ligand-Target Pair