BDBM72818 2-benzyl-3-(3-methylbutylamino)-3H-isoindol-1-one;hydrochloride::2-benzyl-3-(isoamylamino)isoindolin-1-one;hydrochloride::3-(3-methylbutylamino)-2-(phenylmethyl)-3H-isoindol-1-one;hydrochloride::MLS001195262::SMR000502740::cid_23724193

SMILES CC(C)Nc1c(C(=O)NCCC2CC2)cnc2ccc(-c3cn[nH]c3)nc12

InChI Key InChIKey=HXADPMAIANZNBX-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 = 72818   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72818BDBM72818(US12492186, Example 149)
Affinity DataIC50: 2.70nMAssay 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