BDBM15383 9-butyl-8-(2,5-dimethoxybenzyl)-2-fluoro-9H-purin-6-amine::9-butyl-8-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-9H-purin-6-amine::CHEMBL326651::PU0::Purine-Based Inhibitor 10

SMILES CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)nc(F)nc12

InChI Key InChIKey=PASRTKOWXJDFFV-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 15383   

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

Curated by ChEMBL
LigandPNGBDBM15383(9-butyl-8-(2,5-dimethoxybenzyl)-2-fluoro-9H-purin-...)
Affinity DataIC50:  1.43E+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

LigandPNGBDBM15383(9-butyl-8-(2,5-dimethoxybenzyl)-2-fluoro-9H-purin-...)
Affinity DataIC50:  1.43E+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