BDBM12349 CHEMBL149808::US8609708, 26::methyl[3-(pyridin-3-yl)prop-2-yn-1-yl]amine::nicotine 3-heteroaromatic analogue 3b
SMILES CNCC#Cc1cccnc1
InChI Key InChIKey=NTEDXDYFBMNKGE-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 5 hits for monomerid = 12349
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by ChEMBL
Human Biomolecular Research Institute
Curated by ChEMBL
Affinity DataKi: 890nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Virginia Commonwealth University
Curated by ChEMBL
Virginia Commonwealth University
Curated by ChEMBL
Affinity DataKi: 2.29E+3nMAssay Description:Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenatesMore 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: 2.70E+3nM ΔG°: -7.90kcal/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: 2.51E+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: 5.36E+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