BDBM12358 3-(4-methylthiophen-3-yl)pyridine::CHEMBL179704::US8609708, 17::US8609708,17::nicotine 3-heteroaromatic analogue 11

SMILES Cc1cscc1-c1cccnc1

InChI Key InChIKey=RRFCTHIOMKUJRQ-UHFFFAOYSA-N

Data  3 KI  10 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 3 hits for monomerid = 12358   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataIC50: <2.50E+4nMAssay Description:To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of othe...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataIC50:  1.85E+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 DepthDetails US Patent
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataIC50:  1.85E+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 DepthDetails US Patent