BDBM20745 8-Sulfanyladenine::8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-(pent-4-yn-1-yl)-9H-purin-6-amine::CHEMBL191635::Pent-4-ynyl analogue, 4

SMILES COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1

InChI Key InChIKey=MWCNYHTYHZRDKU-UHFFFAOYSA-N

Data  2 IC50  5 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 7 hits for monomerid = 20745   

TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Conforma Therapeutics

LigandPNGBDBM20745(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)
Affinity DataEC50:  280nMpH: 7.2 T: 2°CAssay Description:EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...More 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
LigandPNGBDBM20745(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)
Affinity DataEC50:  2.97E+4nMAssay 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(Mus musculus)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20745(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)
Affinity DataEC50:  50nMAssay 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-beta(Homo sapiens (Human))
Conforma Therapeutics

LigandPNGBDBM20745(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)
Affinity DataIC50:  280nMAssay Description:Inhibition of Hsp90 assessed as Her2 degradation by cell based assayMore 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
LigandPNGBDBM20745(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)
Affinity DataEC50:  3.05E+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
LigandPNGBDBM20745(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)
Affinity DataEC50:  2.67E+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/90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20745(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)
Affinity DataIC50:  810nMAssay Description:Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed