BDBM72800 2-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]isoindole-1,3-dione::2-[3-(4-bromophenoxy)-2-hydroxy-propyl]isoindoline-1,3-quinone::2-[3-(4-bromophenoxy)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione::2-[3-(4-bromophenoxy)-2-hydroxypropyl]isoindole-1,3-dione::MLS001163452::SMR000497155::cid_2909834

SMILES CC(=O)N1CC(n2cc(-c3cnc4ccc(-c5cn[nH]c5)cc4c3NC(C)C)nn2)C1

InChI Key InChIKey=BVABEAASSZRXGV-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72800   

TargetInterleukin-1 receptor-associated kinase 4(Human)
Bristol-Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 72800BDBM72800(US12492186, Example 132)
Affinity DataIC50: 2.90nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details
US Patent