BDBM12365 3-Methyl-4-phenylthiophene::nicotine 3-heteroaromatic analogue 24

SMILES Cc1cscc1-c1ccccc1

InChI Key InChIKey=WHBGQMUVLIUNQW-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 12365   

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

LigandPNGBDBM12365(3-Methyl-4-phenylthiophene | nicotine 3-heteroarom...)
Affinity DataKi:  6.20E+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 Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

LigandPNGBDBM12365(3-Methyl-4-phenylthiophene | nicotine 3-heteroarom...)
Affinity DataKi: >4.00E+5nMAssay 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 Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed