BDBM50165319 8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine::CHEMBL195096

SMILES Cc1cc(C)cc(Sc2nc3c(N)ncnc3n2CCCC#C)c1

InChI Key InChIKey=LTBCYYNIVCRAOE-UHFFFAOYSA-N

Data  5 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 6 hits for monomerid = 50165319   

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

Curated by ChEMBL
LigandPNGBDBM50165319(8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataEC50:  1.06E+4nMAssay 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
LigandPNGBDBM50165319(8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: >1.00E+5nMAssay 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
LigandPNGBDBM50165319(8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: >3.00E+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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165319(8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: >3.00E+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
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165319(8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50:  1.58E+5nMAssay Description:Displacement of PU-FITC3 from recombinant TRAP-1 (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
LigandPNGBDBM50165319(8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50:  1.15E+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 DepthDetails ArticlePubMed