BDBM50323781 9,9'-(4,4'-(1,1'-(3,6,9,12,15-pentaoxaheptadecane-1,17-diyl)bis(1H-1,2,3-triazole-4,1-diyl))bis(butane-4,1-diyl))bis(8-(6-bromobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-6-amine)::CHEMBL1213893

SMILES Nc1ncnc2n(CCCCc3cn(CCOCCOCCOCCOCCOCCn4cc(CCCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12

InChI Key InChIKey=FMGKHVDMBHXKJG-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50323781   

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

Curated by ChEMBL
LigandPNGBDBM50323781(9,9'-(4,4'-(1,1'-(3,6,9,12,15-pentaoxaheptadecane-...)
Affinity DataIC50:  5.10E+3nMAssay 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 DepthDetails ArticlePubMed