BDBM12350 CHEMBL180270::US8609708, 76::dimethyl[3-(pyridin-3-yl)prop-2-yn-1-yl]amine::nicotine 3-heteroaromatic analogue 3c
SMILES CN(C)CC#Cc1cccnc1
InChI Key InChIKey=OFJZYKKOFXREQZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 4 hits for monomerid = 12350
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute
Curated by ChEMBL
Human Biomolecular Research Institute
Curated by ChEMBL
Affinity DataKi: 2.27E+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: 6.75E+4nM ΔG°: -5.91kcal/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: >4.00E+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: 1.36E+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