BDBM12348 3-(pyridin-3-yl)prop-2-yn-1-amine::CHEMBL360541::US8609708, 3::nicotine 3-heteroaromatic analogue 3a
SMILES NCC#Cc1cccnc1
InChI Key InChIKey=BGKUWZFWNZFRMO-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 4 hits for monomerid = 12348
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by ChEMBL
Human Biomolecular Research Institute
Curated by ChEMBL
Affinity DataKi: 90nMAssay 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: 300nM ΔG°: -9.25kcal/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
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by ChEMBL
Human Biomolecular Research Institute
Curated by ChEMBL
Affinity DataIC50: 514nMAssay 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
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by ChEMBL
Human Biomolecular Research Institute
Curated by ChEMBL
Affinity DataIC50: 160nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair