BDBM21679 (2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylpentanoic acid::23(S)-methyl-BA derivative, 7c

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

InChI Key InChIKey=HSINOMROUCMIEA-UHFFFAOYSA-N

Data  2 IC50  2 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 4 hits for monomerid = 21679   

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

LigandPNGBDBM21679((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-e...)
Affinity DataEC50:  95nMpH: 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
TargetBile acid receptor(Human)
University Di Perugia

LigandPNGBDBM21679((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-e...)
Affinity DataEC50:  1.18E+4nMpH: 7.2 T: 2°CAssay Description:To evaluate FXR activity of compounds, COS1 (ATCC) cells were transfected with hFXR expression plasmid, mouse retinoid X receptor expression plasmid,...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

LigandPNGBDBM21679((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-e...)
Affinity DataIC50: 140nMAssay Description:Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Mouse)
Kalypsys

Curated by ChEMBL
LigandPNGBDBM21679((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-e...)
Affinity DataIC50: 250nMAssay Description:Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed