BDBM12354 2-fluoro-5-(3-methylthiophen-2-yl)pyridine::CHEMBL179621::US8609708,10::nicotine 3-heteroaromatic analogue 7

SMILES Cc1ccsc1-c1ccc(F)nc1

InChI Key InChIKey=RYGQGRAICBWYPW-UHFFFAOYSA-N

Data  3 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 12354   

TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12354(2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...)
Affinity DataKi:  210nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12354(2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...)
Affinity DataKi:  600nM ΔG°:  -8.82kcal/molepH: 7.5 T: 2°CAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

LigandPNGBDBM12354(2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...)
Affinity DataKi:  1.96E+4nMAssay Description:To measure CYP3A4 activity, testosterone 6-hydroxylation was determined. After reactions were terminated, the organic phase was collected and removed...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

LigandPNGBDBM12354(2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...)
Affinity DataIC50:  3.91E+4nMAssay Description:To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of othe...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12354(2-fluoro-5-(3-methylthiophen-2-yl)pyridine | CHEMB...)
Affinity DataIC50:  1.29E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In DepthDetails US Patent