BDBM21681 (2S,4R)-2-methyl-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid::23(S)-Methyl-3alpha,7alpha, 12alpha-trihydroxy-5beta-cholan-24-oic acid::23(S)-methyl-BA derivative, 7d

SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@H](C)C(O)=O

InChI Key InChIKey=XKZHNFLHDHLLRG-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 21681   

TargetG-protein coupled bile acid receptor 1(Human)
University Di Perugia

LigandPNGBDBM21681(23(S)-Methyl-3alpha,7alpha, 12alpha-trihydroxy-5be...)
Affinity DataEC50:  4.39E+3nMpH: 7.2 T: 2°CAssay Description:For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2008
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
University Di Perugia

LigandPNGBDBM21681(23(S)-Methyl-3alpha,7alpha, 12alpha-trihydroxy-5be...)
Affinity DataEC50:  4.50E+3nMAssay Description:Agonist activity at TGR5 in human NCI-H716 cells assessed as increase in cAMP level incubated for 60 mins by HTR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetBile acid receptor(Human)
Tes Pharma

Curated by ChEMBL
LigandPNGBDBM21681(23(S)-Methyl-3alpha,7alpha, 12alpha-trihydroxy-5be...)
Affinity DataEC50: >1.00E+5nMAssay Description:Activation of GST-tagged FXR LBD (unknown origin) using biotinylated Src-1 peptide as substrate by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed