BDBM12371 (3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydrochloride::[3-(3-pyridyl)isoxazol-5-yl]methylamine::[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methanamine dihydrochloride::nicotine 3-heteroaromatic analogue 35

SMILES NCc1cc(no1)-c1cccnc1

InChI Key InChIKey=HQTBIZDUNOAXTD-UHFFFAOYSA-N

Data  2 KI  3 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 5 hits for monomerid = 12371   

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

LigandPNGBDBM12371((3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydro...)
Affinity DataKi:  400nMAssay 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(Human)
Human Biomolecular Research Institute

LigandPNGBDBM12371((3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydro...)
Affinity DataKi: >4.00E+5nMAssay 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
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

LigandPNGBDBM12371((3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydro...)
Affinity DataIC50:  800nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetCytochrome P450 2B6(Human)
TBA

US Patent
LigandPNGBDBM12371((3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydro...)
Affinity DataIC50:  6.74E+4nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM12371((3-(Pyridin-3-yl)isoxazol-5-yl)methanamine Dihydro...)
Affinity DataIC50: >1.00E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay