BDBM50165281 8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-fluoro-9-pent-4-ynyl-9H-purin-6-ylamine::8-(2-chloro-3,4,5-trimethoxyphenylthio)-2-fluoro-9-(pent-4-ynyl)-9H-purin-6-amine::CHEMBL193282::US10676476, Comp 2

SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC

InChI Key InChIKey=OENDJQYCPXNUJP-UHFFFAOYSA-N

Data  2 IC50  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50165281   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165281(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)
Affinity DataEC50:  2.69E+4nMAssay Description:Effective concentration of compound against heat shock protein HSP90 determined in normal brain cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165281(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)
Affinity DataEC50:  2.17E+5nMAssay Description:Effective concentration of compound against heat shock protein HSP90 determined in normal lung cellsMore 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
LigandPNGBDBM50165281(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cellsMore 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
LigandPNGBDBM50165281(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)
Affinity DataIC50:  1.30E+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))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165281(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)
Affinity DataEC50:  5.31E+4nMAssay Description:Effective concentration of compound against heat shock protein HSP90 determined in normal heart cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165281(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)
Affinity DataEC50:  120nMAssay 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(Mus musculus)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165281(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)
Affinity DataEC50:  120nMAssay Description:Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed