BDBM9453 7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one::CHEMBL361653::Isoflavone 3i

SMILES COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(OC)ccc2c1=O

InChI Key InChIKey=SXRYBTCTRUEJJT-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 = 9453   

TargetAromatase(Human)
Ohio State University

LigandPNGBDBM9453(7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmeth...)
Affinity DataKi:  1.69E+3nM ΔG°:  -8.19kcal/mole IC50: 3.10E+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 Depth
Date in BDB:
5/29/2006
Entry Details Article
PubMed
TargetAromatase(Human)
Ohio State University

LigandPNGBDBM9453(7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmeth...)
Affinity DataIC50: 3.10E+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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed