BDBM15378 9-butyl-8-(2,5-dimethoxybenzyl)-9H-purin-6-amine::9-butyl-8-[(2,5-dimethoxyphenyl)methyl]-9H-purin-6-amine::CHEMBL113194::PU7::Purine-Based Inhibitor 5

SMILES CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)ncnc12

InChI Key InChIKey=PPFZLLAIQRZNJE-UHFFFAOYSA-N

Data  2 IC50  1 EC50

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 3 hits for monomerid = 15378   

TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Vernalis (R&D)

LigandPNGBDBM15378(9-butyl-8-(2,5-dimethoxybenzyl)-9H-purin-6-amine |...)
Affinity DataIC50:  4.10E+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
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Ribotargets

Curated by ChEMBL
LigandPNGBDBM15378(9-butyl-8-(2,5-dimethoxybenzyl)-9H-purin-6-amine |...)
Affinity DataIC50:  4.10E+4nMAssay Description:Inhibition of ATP-ase activity in human colon tumour cell line (HCT116)More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Conforma Therapeutics

LigandPNGBDBM15378(9-butyl-8-(2,5-dimethoxybenzyl)-9H-purin-6-amine |...)
Affinity DataEC50:  1.20E+4nMpH: 7.2 T: 2°CAssay Description:EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...More data for this Ligand-Target Pair