BDBM50250990 1(beta)-O-galloylpedunculagin::CHEMBL446979

SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12

InChI Key InChIKey=SWRFKGRMQVLMKA-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 = 50250990   

TargetSqualene monooxygenase(Rat)
University of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50250990(1(beta)-O-galloylpedunculagin | CHEMBL446979)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed