BDBM50151416 CHEMBL424989::[(R)-3-((3R,7R,10S,13R)-3,7-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-butyl]-carbamic acid ethyl ester::ethyl 3-((3R,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butylcarbamate

SMILES CCOC(=O)NCC[C@@H](C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C

InChI Key InChIKey=HTMXEXWJBFVUFS-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 = 50151416   

TargetBile acid receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50151416(ethyl 3-((3R,7R,10S,13R)-3,7-dihydroxy-10,13-dimet...)
Affinity DataEC50:  2.72E+3nMAssay Description:Binding affinity for human Farnesoid X receptor in FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed