BDBM50336387 (S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)-3-fluorobenzoic acid::4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid::CHEMBL1615152::FXR_58

SMILES OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1

InChI Key InChIKey=DGVNGMXASUNRAO-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 = 50336387   

TargetBile acid receptor(Human)
D3R/Abbott

LigandPNGBDBM50336387((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataIC50: 35.7nMpH: 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
LigandPNGBDBM50336387((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataIC50: 2.00E+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
LigandPNGBDBM50336387((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataIC50: 3.90E+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

LigandPNGBDBM50336387((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataIC50: 37nMAssay 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

LigandPNGBDBM50336387((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataEC50:  300nMAssay 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
LigandPNGBDBM50336387((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
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
LigandPNGBDBM50336387((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed