BDBM95657 1-methyl-2-pyrrolecarboxylic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester::1-methylpyrrole-2-carboxylic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester::MLS002248162::SMR001315640::[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate::[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate::cid_2409536

SMILES O=C(N[C@@H]1COCc2c1cnn2-c1cccc(C(=O)N2CCCC2)c1Cl)c1ncn2c1CCCC2

InChI Key InChIKey=CKMPMUXQYKAJKL-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 = 95657   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 95657BDBM95657(US20250388602, Example 71)
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