BDBM12360 (5-Pyridin-3-yl-furan-2-yl)methanethiol::[5-(pyridin-3-yl)furan-2-yl]methanethiol::nicotine 3-heteroaromatic analogue 14

SMILES SCc1ccc(o1)-c1cccnc1

InChI Key InChIKey=GLMNDKCXHHOKIQ-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 = 12360   

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

LigandPNGBDBM12360((5-Pyridin-3-yl-furan-2-yl)methanethiol | [5-(pyri...)
Affinity DataKi: <800nMAssay 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

LigandPNGBDBM12360((5-Pyridin-3-yl-furan-2-yl)methanethiol | [5-(pyri...)
Affinity DataKi:  3.10E+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