BDBM50165315 9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9H-purin-6-ylamine::CHEMBL192480::US10676476, Example 2

SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)c(Cl)cc3Cl)nc12

InChI Key InChIKey=HKCGVSYYAMBCJV-UHFFFAOYSA-N

Data  6 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50165315   

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

Curated by ChEMBL
LigandPNGBDBM50165315(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)
Affinity DataEC50:  8.50E+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
LigandPNGBDBM50165315(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)
Affinity DataIC50:  5.80E+4nMAssay Description:Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165315(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)
Affinity DataIC50:  170nMAssay 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
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

US Patent
LigandPNGBDBM50165315(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)
Affinity DataIC50:  5.80E+4nMAssay Description:The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165315(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)
Affinity DataIC50:  7.84E+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 DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

Curated by ChEMBL
LigandPNGBDBM50165315(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)
Affinity DataIC50: >2.00E+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

US Patent
LigandPNGBDBM50165315(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)
Affinity DataEC50:  8.50E+3nMAssay Description:The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

US Patent
LigandPNGBDBM50165315(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)
Affinity DataIC50: >2.00E+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