BDBM12366 3-Phenylthiophene::nicotine 3-heteroaromatic analogue 25

SMILES c1cc(cs1)-c1ccccc1

InChI Key InChIKey=ZDQZVKVIYAPRON-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 = 12366   

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

LigandPNGBDBM12366(3-Phenylthiophene | nicotine 3-heteroaromatic anal...)
Affinity DataKi:  3.30E+3nMAssay 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

LigandPNGBDBM12366(3-Phenylthiophene | nicotine 3-heteroaromatic anal...)
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
In DepthDetails ArticlePubMed