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
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
Human Biomolecular Research Institute
Curated by ChEMBL
Affinity DataKi: 210nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by ChEMBL
Human Biomolecular Research Institute
Curated by ChEMBL
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
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
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
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by ChEMBL
Human Biomolecular Research Institute
Curated by ChEMBL
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