BDBM15374 9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine::9-butyl-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine::CHEMBL113690::PU3::Purine-Based Inhibitor 1

SMILES CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC

InChI Key InChIKey=TUOSCZDRWRYPRS-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 = 15374   

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

LigandPNGBDBM15374(CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...)
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 Depth
Date in BDB:
5/4/2007
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Conforma Therapeutics

LigandPNGBDBM15374(CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...)
Affinity DataEC50:  4.00E+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
In Depth
Date in BDB:
3/16/2008
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15374(CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...)
Affinity DataEC50:  3.20E+3nMAssay Description:Binding affinity towards Heat shock protein HSP 90-alpha inhibitorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Conforma Therapeutics

LigandPNGBDBM15374(CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...)
Affinity DataEC50:  1.50E+4nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Conforma Therapeutics

LigandPNGBDBM15374(CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15374(CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...)
Affinity DataIC50: 2.00E+5nMAssay 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)
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM15374(CHEMBL113690 | 9-butyl-8-(3,4,5-trimethoxybenzyl)-...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of Her2 in human MCF7 cells by SDS-PAGE analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed