BDBM15381 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-ynyl-9H-purin-6-amine::8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-(pent-4-yn-1-yl)-9H-purin-6-amine::CHEMBL112953::PU1::Purine-Based Inhibitor 8

SMILES COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC

InChI Key InChIKey=KCIOVTSUEXGUFJ-UHFFFAOYSA-N

Data  4 IC50  3 EC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 15381   

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

LigandPNGBDBM15381(8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pen...)
Affinity DataIC50:  3.00E+4nMpH: 7.4 T: 37°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-beta(Human)
Conforma Therapeutics

LigandPNGBDBM15381(8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pen...)
Affinity DataEC50:  1.70E+3nMpH: 7.2 T: 37°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
TargetHeat shock protein HSP 90-beta(Human)
Conforma Therapeutics

LigandPNGBDBM15381(8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pen...)
Affinity DataEC50:  1.70E+3nMpH: 7.2 T: 37°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
TargetHeat shock protein HSP 90-beta(Human)
Conforma Therapeutics

LigandPNGBDBM15381(8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pen...)
Affinity DataIC50:  660nMAssay Description:Displacement of GM-cy3B from Hsp90 in human SKBR3 cells after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15381(8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pen...)
Affinity DataEC50:  1.20E+3nMAssay Description:Displacement of cy3B-GM from Hsp90alphaMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Ribotargets

Curated by ChEMBL
LigandPNGBDBM15381(8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pen...)
Affinity DataIC50:  3.00E+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-alpha/90-beta(Human)
Ribotargets

Curated by ChEMBL
LigandPNGBDBM15381(8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pen...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cellsMore data for this Ligand-Target Pair