BDBM12348 3-(pyridin-3-yl)prop-2-yn-1-amine::CHEMBL360541::US8609708, 3::nicotine 3-heteroaromatic analogue 3a

SMILES NCC#Cc1cccnc1

InChI Key InChIKey=BGKUWZFWNZFRMO-UHFFFAOYSA-N

Data  3 KI  12 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 = 12348   

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

US Patent
LigandPNGBDBM12348(3-(pyridin-3-yl)prop-2-yn-1-amine | CHEMBL360541 |...)
Affinity DataIC50:  1.28E+5nMAssay 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 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12348(3-(pyridin-3-yl)prop-2-yn-1-amine | CHEMBL360541 |...)
Affinity DataIC50:  3.65E+5nMAssay 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
LigandPNGBDBM12348(3-(pyridin-3-yl)prop-2-yn-1-amine | CHEMBL360541 |...)
Affinity DataIC50:  514nMAssay 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