BDBM50226463 (5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,5,5a,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[2,1-c]furan-3(5bH)-one::12-O-deacetyl-12-epi-19-deoxyscalarin::12-O-deacetyl-25-deoxy-12-episcalarin::12-deacetyl-12-epi-19-deoxyscalarin::12-epi-O-deacetyl-19-deoxyscalarin::25-dehydroxy-12-epi-deacetylscalarin::CHEMBL250263

SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H](COC4=O)[C@@]3(C)[C@H](O)C[C@H]21

InChI Key InChIKey=XJAQPGLKAWWKLX-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 = 50226463   

TargetBile acid receptor(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50226463(12-deacetyl-12-epi-19-deoxyscalarin | 12-O-deacety...)
Affinity DataIC50: 3.16E+4nMAssay Description:Antagonist activity at human FXR expressed in monkey CV1 cells after 24 hrs by ecdysone receptor response element-driven luciferase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed