BDBM12344 CHEMBL361969::US8609708, 75::dimethyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine::nicotine 3-heteroaromatic analogue 1c
SMILES CN(C)Cc1ccc(s1)-c1cccnc1
InChI Key InChIKey=JWRCUDVXZUHOJA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 4 hits for monomerid = 12344
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by ChEMBL
Human Biomolecular Research Institute
Curated by ChEMBL
Affinity DataKi: 2.22E+4nMAssay 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: 6.65E+4nM ΔG°: -5.92kcal/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: 1.10E+5nMAssay 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
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by ChEMBL
Human Biomolecular Research Institute
Curated by ChEMBL
Affinity DataIC50: 1.33E+5nMAssay 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