BDBM20800 2-amino-6-halopurine analogue, 20::6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine::CHEMBL467399::hsp90_107

SMILES Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N

InChI Key InChIKey=QULDDKSCVCJTPV-UHFFFAOYSA-N

Data  8 KI  17 IC50  2 Kd  2 EC50

PDB links: 5 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 20800   

TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataIC50: 38nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradation in human MCF7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataIC50: 7nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to HSP90 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKi:  1.70nMAssay Description:Inhibition of HSP90alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKi:  13nMAssay Description:Binding affinity to HSP90 under reducing conditions in presence of TECPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKi:  26nMAssay Description:Binding affinity to HSP90 under non-reducing conditions in absence of TECPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)