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
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 = 12362   

TargetCytochrome P450 3A4(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 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 2A6(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 Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed