BDBM32248 1,3,7-trimethyl-8-(piperonylamino)xanthine::8-(1,3-benzodioxol-5-ylmethylamino)-1,3,7-trimethyl-purine-2,6-dione::8-(1,3-benzodioxol-5-ylmethylamino)-1,3,7-trimethylpurine-2,6-dione::cid_973925

SMILES Cn1c(NCc2ccc3OCOc3c2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key InChIKey=DBUTWVGFZXXEMP-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 = 32248   

TargetHeat shock protein HSP 90-alpha(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32248(8-(1,3-benzodioxol-5-ylmethylamino)-1,3,7-trimethy...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2009
Entry Details
PCBioAssay