BDBM50240891 2-(2-{6-[5,7-dihydroxy-3-(3,4,5-trihydroxyphenylcarbonyloxy)-(2R,3R)-3,4-dihydro-2H-2-chromenyl]-2,3,4-trihydroxyphenyl}-3,4,5-trihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxyphenylcarbonyloxy)-(2R,3R)-3,4-dihydro-2H-chromene::CHEMBL349197::theasinensin A

SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1

InChI Key InChIKey=YUULFXAQUWEYNP-UHFFFAOYSA-N

Data  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 = 50240891   

TargetSqualene monooxygenase(Rat)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50240891(theasinensin A | 2-(2-{6-[5,7-dihydroxy-3-(3,4,5-t...)
Affinity DataIC50: 130nMAssay Description:Inhibition of rat squalene epoxidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed