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(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)OC

InChI Key InChIKey=PASRTKOWXJDFFV-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 15383   

TargetATP-dependent molecular chaperone HSP82(Baker's yeast)
Vernalis (R&D)

LigandPNGBDBM15383(PU0 | 9-butyl-8-[(2,5-dimethoxyphenyl)methyl]-2-fl...)
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 Depth
Date in BDB:
5/4/2007
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Ribotargets

Curated by ChEMBL
LigandPNGBDBM15383(PU0 | 9-butyl-8-[(2,5-dimethoxyphenyl)methyl]-2-fl...)
Affinity DataIC50: 1.43E+4nMAssay Description:Inhibition of ATP-ase activity in human colon tumor cell line (HCT116)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)