BDBM50336386 (S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)benzoic acid::4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid::CHEMBL1615153::FXR_53

SMILES OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1

InChI Key InChIKey=OZGKPOZAIWDSQB-VWLOTQADSA-N

Data  6 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50336386   

TargetBile acid receptor(Human)
D3R/Abbott

LigandPNGBDBM50336386((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
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 DepthDetails D3R
MMDB
PDB3D3D Structure (crystal)

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

Curated by ChEMBL
LigandPNGBDBM50336386((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 DepthDetails ArticlePubMed

TargetBile acid receptor(Human)
D3R/Abbott

LigandPNGBDBM50336386((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataIC50:  50nMAssay Description:Displacement of radioligand from human FXR by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336386((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataIC50:  3.70E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336386((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 DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336386((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBile acid receptor(Human)
D3R/Abbott

LigandPNGBDBM50336386((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)
Affinity DataEC50:  2.50E+3nMAssay Description:Agonist activity at Gal4-fused human FXR by luciferase reporter gene transactivation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)