BDBM95653 1-oxido-3-pyridin-1-iumcarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester::1-oxidopyridin-1-ium-3-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester::MLS002170576::SMR001250891::[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate::[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate::cid_3659548

SMILES COCCOc1cccc(-n2ncc3c2COC[C@H]3NC(=O)c2ncn3c2CCCC3)c1Cl

InChI Key InChIKey=NKIPVDSATFHILU-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 = 95653   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 95653BDBM95653(US20250388602, Example 67)
Affinity DataIC50: 10nMAssay 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