BDBM95650 5-ketopyrrolidine-2-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester::5-oxo-2-pyrrolidinecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester::MLS002248943::SMR001316398::[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate::[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidenepyrrolidine-2-carboxylate::cid_3317062

SMILES CN(C)C(=O)COc1cccc(-n2ncc3c2COC[C@H]3NC(=O)c2ncn3c2CCCC3)c1Cl

InChI Key InChIKey=DKIAGQQFJVDKOO-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 = 95650   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 95650BDBM95650(US20250388602, Example 64)
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