BDBM15377 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-9H-purin-6-amine::8-(2H-1,3-benzodioxol-5-ylmethyl)-9-butyl-9H-purin-6-amine::CHEMBL326564::PU6::Purine-Based Inhibitor 4

SMILES CCCCn1c(Cc2ccc3OCOc3c2)nc2c(N)ncnc12

InChI Key InChIKey=JCDXXNIRWRRGBX-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 15377   

TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Ribotargets

Curated by ChEMBL
LigandPNGBDBM15377(8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-9H-purin-6-...)
Affinity DataIC50:  1.53E+4nMAssay Description:Inhibition of ATP-ase activity in human colon tumour cell line (HCT116)More data for this Ligand-Target Pair
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Vernalis (R&D)

LigandPNGBDBM15377(8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-9H-purin-6-...)
Affinity DataIC50:  1.53E+4nMpH: 7.4 T: 2°CAssay Description:The HSP90 ATPase activity was determined by following the procedure of malachite green assay. The assay is based on quantitation of the green complex...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed