BDBM97139 (2R,3R)-2-[7-[2-(hydroxymethyl)-1-piperidinyl]-7-oxoheptyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]-1-cyclopentanone::(2R,3R)-2-[7-[2-(hydroxymethyl)piperidin-1-yl]-7-oxidanylidene-heptyl]-3-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentan-1-one::(2R,3R)-2-[7-[2-(hydroxymethyl)piperidin-1-yl]-7-oxoheptyl]-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one::(2R,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-[7-keto-7-(2-methylolpiperidino)heptyl]cyclopentanone::MLS001213429::SMR000540549::cid_16397324

SMILES C[N+](C)(CF)CCOC(=O)CCC(=O)O

InChI Key InChIKey=PUWRAXNZOZMMTO-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 = 97139   

TargetCholine trimethylamine-lyase()
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 97139BDBM97139(US20260001833, Compound 2)
Affinity DataIC50: 2.40E+3nMAssay 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:
5/13/2026
Entry Details
US Patent