BDBM9891 2-(1H-Imidazol-1-yl)-7-methoxy-3-phenyl-4H-1-benzopyran4-one::2-(1H-imidazol-1-yl)-7-methoxy-3-phenyl-4H-chromen-4-one::CHEMBL192306::azole isoflavone analog 2a

SMILES COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1ccnc1

InChI Key InChIKey=XDJIKPUCOXIQTJ-UHFFFAOYSA-N

Data  1 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 2 hits for monomerid = 9891   

TargetAromatase(Homo sapiens (Human))
Ohio State University

LigandPNGBDBM9891(2-(1H-Imidazol-1-yl)-7-methoxy-3-phenyl-4H-1-benzo...)
Affinity DataKi:  680nM ΔG°:  -8.75kcal/mole IC50:  770nMpH: 7.0 T: 2°CAssay Description:Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Ohio State University

LigandPNGBDBM9891(2-(1H-Imidazol-1-yl)-7-methoxy-3-phenyl-4H-1-benzo...)
Affinity DataIC50:  770nMAssay Description:Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed