BDBM15380 8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-ynyl-9H-purin-6-amine::8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-9-(pent-4-yn-1-yl)-9H-purin-6-amine::CHEMBL326523::PU9::Purine-Based Inhibitor 7

SMILES COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC

InChI Key InChIKey=WUJFGZAAFADPSF-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 = 15380   

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

Curated by ChEMBL
LigandPNGBDBM15380(8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-ynyl-...)
Affinity DataIC50: >2.00E+5nMAssay 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)

LigandPNGBDBM15380(8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-ynyl-...)
Affinity DataIC50: >2.00E+5nMpH: 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