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

Curated by ChEMBL
LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataKi:  250nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataKi:  900nMAssay 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

LigandPNGBDBM12358(3-(4-methylthiophen-3-yl)pyridine | CHEMBL179704 |...)
Affinity DataKi: <2.50E+4nMAssay 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