BDBM9452 7-Methoxy-3-(4-methylphenyl)-2-[(4-pyridylmethyl)-thio]-4H-1-benzopyran-4-one::7-methoxy-3-(4-methylphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one::CHEMBL184051::Isoflavone 3h

SMILES COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccc(C)cc1)c2=O

InChI Key InChIKey=ILINAMZYBUFFDT-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 = 9452   

TargetAromatase(Homo sapiens (Human))
Ohio State University

LigandPNGBDBM9452(7-Methoxy-3-(4-methylphenyl)-2-[(4-pyridylmethyl)-...)
Affinity DataKi:  1.16E+3nM ΔG°:  -8.42kcal/mole IC50:  3.00E+3nMpH: 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

LigandPNGBDBM9452(7-Methoxy-3-(4-methylphenyl)-2-[(4-pyridylmethyl)-...)
Affinity DataIC50:  3.00E+3nMAssay 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