BDBM97138 (9S,10S,13R,17R)-13-methyl-3,5-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde::(9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde::(9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde::(9S,10S,13R,17R)-3,5-dihydroxy-17-(6-ketopyran-3-yl)-13-methyl-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde::MLS001215955::SMR000544671::cid_16407310

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

InChI Key InChIKey=GINUJYZEMXGGKW-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 = 97138   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 97138BDBM97138(US20260001833, Compound 1)
Affinity DataIC50: 4.20E+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