BDBM50336388 CHEMBL1668261::FXR_64::trans-4-((2S)-2-cyclohexyl-2-(2-(2,4-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)acetamido)cyclohexanecarboxylic acid

SMILES COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(OC)n1

InChI Key InChIKey=UBXGEZISKCURBV-UHFFFAOYSA-N

Data  6 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 7 hits for monomerid = 50336388   

TargetBile acid receptor(Human)
D3R/Abbott

LigandPNGBDBM50336388(trans-4-((2S)-2-cyclohexyl-2-(2-(2,4-dimethoxypyri...)
Affinity DataIC50: 315nMpH: 7.4Assay Description:The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/10/2017
Entry Details
D3R

TargetPotassium voltage-gated channel subfamily H member 2(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336388(trans-4-((2S)-2-cyclohexyl-2-(2-(2,4-dimethoxypyri...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336388(trans-4-((2S)-2-cyclohexyl-2-(2-(2,4-dimethoxypyri...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetBile acid receptor(Human)
D3R/Abbott

LigandPNGBDBM50336388(trans-4-((2S)-2-cyclohexyl-2-(2-(2,4-dimethoxypyri...)
Affinity DataIC50: 210nMAssay Description:Displacement of radioligand from human FXR by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetBile acid receptor(Human)
D3R/Abbott

LigandPNGBDBM50336388(trans-4-((2S)-2-cyclohexyl-2-(2-(2,4-dimethoxypyri...)
Affinity DataEC50:  1.70E+3nMAssay Description:Agonist activity at Gal4-fused human FXR by luciferase reporter gene transactivation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336388(trans-4-((2S)-2-cyclohexyl-2-(2-(2,4-dimethoxypyri...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336388(trans-4-((2S)-2-cyclohexyl-2-(2-(2,4-dimethoxypyri...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed