BDBM50432670 CHEMBL2347914

SMILES Oc1cc(oc2cccc(=O)c12)-c1cccc(OCC#C)c1

InChI Key InChIKey=PJYJHOUXXZHZQT-UHFFFAOYSA-N

Data  2 KI  2 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 = 50432670   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50432670(CHEMBL2347914)
Affinity DataKi:  71nMAssay Description:Irreversible inhibition of CYP1A2 (unknown origin)-mediated demethylation of resorufin methyl ether after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50432670(CHEMBL2347914)
Affinity DataKi:  130nMAssay Description:Irreversible inhibition of CYP1A1 (unknown origin)-mediated deethylation of resorufin ethyl ether after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50432670(CHEMBL2347914)
Affinity DataIC50:  4.08E+3nMAssay Description:Inhibition of CYP2B1 (unknown origin)-mediated depentylation of resorufin pentyl ether after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Xavier University Of Louisiana

Curated by ChEMBL
LigandPNGBDBM50432670(CHEMBL2347914)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2A6 (unknown origin)-mediated coumarin 7-hydroxylation after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed