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 COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C

InChI Key InChIKey=QULDDKSCVCJTPV-UHFFFAOYSA-N

Data  8 KI  17 IC50  1 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-alpha(Homo sapiens (Human))
Taipei Medical University

Curated by ChEMBL
LigandPNGBDBM20800(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Affinity DataIC50:  66nMAssay Description:Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHistone deacetylase(Homo sapiens (Human))
Taipei Medical University

Curated by ChEMBL
LigandPNGBDBM20800(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Taipei Medical University

Curated by ChEMBL
LigandPNGBDBM20800(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Affinity DataIC50:  5.68E+4nMAssay Description:Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Taipei Medical University

Curated by ChEMBL
LigandPNGBDBM20800(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Affinity DataIC50:  66nMAssay Description:Inhibition of HSP90a (unknown origin)More data for this Ligand-Target Pair
TargetHistone deacetylase(Homo sapiens (Human))
Taipei Medical University

Curated by ChEMBL
LigandPNGBDBM20800(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of HDAC in human HeLa cell nuclear extract using fluorescence substrate incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Taipei Medical University

Curated by ChEMBL
LigandPNGBDBM20800(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Affinity DataIC50:  1.05E+5nMAssay Description:Inhibition of HSP90 (unknown origin) assessed as competition of fluorescently labelled geldanamycin binding after 2 hrs by microplate reader analysisMore data for this Ligand-Target Pair