BDBM50165294 CHEMBL190438::[2-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)-phenyl]-methanol

SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccccc3CO)nc12

InChI Key InChIKey=UHLGRKPZDRDVNY-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50165294   

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165294([2-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)-p...)
Affinity DataIC50: 4.00E+5nMAssay Description:Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Mouse)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165294([2-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)-p...)
Affinity DataEC50:  8.51E+4nMAssay Description:Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165294([2-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)-p...)
Affinity DataIC50: 1.00E+5nMAssay Description:Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetEndoplasmin(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165294([2-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)-p...)
Affinity DataIC50: 2.94E+4nMAssay Description:Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165294([2-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)-p...)
Affinity DataIC50: 1.00E+5nMAssay Description:Displacement of Cy3B-GM from recombinant Hsp90beta (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed