BDBM12353 3-(5-methyl-1H-imidazol-1-yl)pyridine::nicotine 3-heteroaromatic analogue 6

SMILES Cc1cncn1-c1cccnc1

InChI Key InChIKey=YTNBLXMIWILWOO-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 12353   

TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

LigandPNGBDBM12353(3-(5-methyl-1H-imidazol-1-yl)pyridine | nicotine 3...)
Affinity DataKi:  500nM ΔG°:  -8.94kcal/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
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

LigandPNGBDBM12353(3-(5-methyl-1H-imidazol-1-yl)pyridine | nicotine 3...)
Affinity DataKi:  5.45E+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
In DepthDetails ArticlePubMed