BDBM50165286 8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine::CHEMBL424824

SMILES Cc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1

InChI Key InChIKey=WLYXAWLTUOYKMO-UHFFFAOYSA-N

Data  9 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 10 hits for monomerid = 50165286   

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

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataEC50:  8.60E+3nMAssay 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/90-beta(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: 3.92E+4nMAssay 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-beta(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-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 Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-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 Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetEndoplasmin(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: 1.63E+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 Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: 1.38E+4nMAssay 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 Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of human cy3B-GM labeled Hsp90alpha expressed in Escherichia coli BL21(DE3) measured after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of human cy3B-GM labeled Hsp90beta expressed in Escherichia coli BL21(DE3) measured after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetEndoplasmin(Dog)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: 1.18E+4nMAssay Description:Inhibition of dog cy3B-GM labeled GRP94 expressed in Escherichia coli BL21(DE3) measured after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165286(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Affinity DataIC50: 5.41E+4nMAssay Description:Inhibition of PU-FITC3 labeled Trap-1 (unknown origin) measured after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed