BDBM50165278 9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl)-9H-purin-6-ylamine::CHEMBL371372

SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccccc3OC(F)(F)F)nc12

InChI Key InChIKey=KMLKYPXEIVGNDC-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50165278   

TargetHeat shock protein HSP 90-alpha(Mus musculus)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)
Affinity DataEC50:  5.60E+3nMAssay Description:Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)
Affinity DataIC50:  9.70E+4nMAssay Description:Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)
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 DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)
Affinity DataIC50:  1.40E+3nMAssay Description:Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)
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 DepthDetails ArticlePubMed