BDBM72812 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(3-methoxyphenyl)methyl]acetamide::2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-methoxybenzyl)acetamide::2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]ethanamide::2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-m-anisyl-acetamide::2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide::MLS001162950::SMR000498436::cid_2978791

SMILES COc1cccc(CNC(=O)Cn2nc(C)c(c2C)[N+]([O-])=O)c1

InChI Key InChIKey=XQEWERWJZLYWHB-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 = 72812   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72812BDBM72812(US12492186, Example 143)
Affinity DataIC50: 7.20nMAssay 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