BDBM9902 3-Phenyl-7-(alpha-naphthylmethoxy)-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one::7-(naphthalen-1-ylmethoxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one::isoflavone deriv. 5d

SMILES O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12

InChI Key InChIKey=ZAUDRYBAERQFQL-UHFFFAOYSA-N

Data  1 KI  1 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 1 hit for monomerid = 9902   

TargetAromatase(Human)
Ohio State University

LigandPNGBDBM9902(3-Phenyl-7-(alpha-naphthylmethoxy)-2-[(4-pyridylme...)
Affinity DataKi:  114nM ΔG°:  -9.85kcal/mole IC50: 112nMpH: 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 Article
PubMed