BDBM9459 7-Hydroxy-3-(4-methoxyphenyl)-2-[(4-pyridylmethyl)-thio]-4H-1-benzopyran-4-one::7-hydroxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one::Isoflavone 4g

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

InChI Key InChIKey=GMFZBGAQKAVZSP-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 = 9459   

TargetAromatase(Human)
Ohio State University

LigandPNGBDBM9459(7-hydroxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmeth...)
Affinity DataKi:  260nM ΔG°:  -9.34kcal/mole IC50: 220nMpH: 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