BDBM21725 (1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,13-dione::Guggulsterone

SMILES [H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

InChI Key InChIKey=WDXRGPWQVHZTQJ-UHFFFAOYSA-N

Data  5 KI  9 IC50  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 = 21725   

TargetBile acid receptor(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 21725BDBM21725((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)
Affinity DataIC50: 8.94E+4nMAssay Description:Antagonist activity at GST-tagged FXRalpha LBD (unknown origin) assessed as inhibition of CDCA-induced bio-SRC-1 recruitment after 30 mins by fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed