BDBM95654 2-(1H-indol-3-yl)acetic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester::2-(1H-indol-3-yl)acetic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester::MLS002169844::SMR001250170::[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate::[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1H-indol-3-yl)ethanoate::cid_4784386

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

InChI Key InChIKey=JOWVIORRJKMKLQ-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 = 95654   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 95654BDBM95654(US20250388602, Example 68)
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