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  3 Kd  2 EC50

PDB links: 5 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 20800   

TargetHeat shock protein 75 kDa, mitochondrial(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKi:  62nMAssay Description:Binding affinity to human recombinant TRAP1 after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20800(CHEMBL467399 | 6-chloro-9-[(4-methoxy-3,5-dimethyl...)
Affinity DataKi:  176nMAssay Description:Binding affinity to human N-terminal polyHis-tagged GRP94 (L69 to N337) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarizat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed