BDBM12346 CHEMBL178938::US8609708,16::methyl({[5-(pyridin-3-yl)furan-2-yl]methyl})amine::nicotine 3-heteroaromatic analogue 2b

SMILES CNCc1ccc(o1)-c1cccnc1

InChI Key InChIKey=MDGMPFRIYUFRRX-UHFFFAOYSA-N

Data  3 KI  1 IC50

  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 4 hits for monomerid = 12346   

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12346(US8609708,16 | CHEMBL178938 | methyl({[5-(pyridin-...)
Affinity DataIC50: 1.65E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12346(US8609708,16 | CHEMBL178938 | methyl({[5-(pyridin-...)
Affinity DataKi:  280nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12346(US8609708,16 | CHEMBL178938 | methyl({[5-(pyridin-...)
Affinity DataKi:  800nM ΔG°:  -8.65kcal/molepH: 7.5 T: 2°CAssay 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

LigandPNGBDBM12346(US8609708,16 | CHEMBL178938 | methyl({[5-(pyridin-...)
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