BDBM50323782 9,9'-(3,3'-(1,1'-(3,6,9,12,15,18-hexaoxaicosane-1,20-diyl)bis(1H-1,2,3-triazole-4,1-diyl))bis(propane-3,1-diyl))bis(8-(6-bromobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-6-amine)::CHEMBL1213894

SMILES Nc1ncnc2n(CCCc3cn(CCOCCOCCOCCOCCOCCOCCn4cc(CCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12

InChI Key InChIKey=PZVIBISJBVOIMW-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50323782   

TargetHeat shock protein HSP 90-alpha(Human)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50323782(9,9'-(3,3'-(1,1'-(3,6,9,12,15,18-hexaoxaicosane-1,...)
Affinity DataIC50: 790nMAssay Description:Displacement of biotin-labeled geldanamycin from N-terminal His-tagged human recombinant HSP90alpha expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed