BDBM12362 3-(5-[1,3]Dithiolan-2-yl-furan-2-yl)pyridine::3-[5-(1,3-dithiolan-2-yl)furan-2-yl]pyridine::nicotine 3-heteroaromatic analogue 17

SMILES C1CSC(S1)c1ccc(o1)-c1cccnc1

InChI Key InChIKey=UITMTMQMFFBLFB-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 = 12362   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

LigandPNGBDBM12362(3-(5-[1,3]Dithiolan-2-yl-furan-2-yl)pyridine | 3-[...)
Affinity DataKi:  1.10E+3nMAssay 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
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

LigandPNGBDBM12362(3-(5-[1,3]Dithiolan-2-yl-furan-2-yl)pyridine | 3-[...)
Affinity DataKi:  1.39E+4nMAssay 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