BDBM95652 (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester::(2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester::MLS002161817::SMR001244235::[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate::[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate::cid_16247418

SMILES CC(=O)NCCOc1cccc(-n2ncc3c2COC[C@H]3NC(=O)c2ncn3c2CCCC3)c1Cl

InChI Key InChIKey=IGBQCXWMBXWLBG-UHFFFAOYSA-N

Data  1 IC50

  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 = 95652   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 95652BDBM95652(US20250388602, Example 66)
Affinity DataIC50: 55nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent