BDBM72880 3,12-dioxocholan-24-oic acid::4-[(9S,14S)-10,13-dimethyl-3,12-bis(oxidanylidene)-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid::4-[(9S,14S)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid::4-[(9S,14S)-3,12-diketo-10,13-dimethyl-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid::MLS001196425::SMR000556262::cid_5322383

SMILES CC(CCC(O)=O)C1CC[C@H]2C3CCC4CC(=O)CCC4(C)[C@H]3CC(=O)C12C

InChI Key InChIKey=XNTYYYINMGRBQW-UHFFFAOYSA-N

Data  1 EC50

  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 = 72880   

TargetHistamine H4 receptor(Human)
Faes Farma

US Patent
LigandChemical structure of BindingDB Monomer ID 72880BDBM72880(US12492199, Example 88)
Affinity DataIC50: 100nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details PCBioAssay