BDBM50185722 CHEMBL3824207

SMILES CC(C)n1nc(C(=O)O)cc1[C@H]1C[C@](O)(c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)C1

InChI Key InChIKey=KHTWMUPBBFFKQN-UHFFFAOYSA-N

Data  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50185722   

TargetBile acid receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50185722BDBM50185722(CHEMBL3824207)
Affinity DataEC50:  9nMAssay Description:Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2017
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50185722BDBM50185722(CHEMBL3824207)
Affinity DataEC50:  10nMAssay Description:Agonist activity at GAL4-fused N-terminal GST tagged human FXR LBD expressed in human HEK293 cells by one hybrid reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetBile acid receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50185722BDBM50185722(CHEMBL3824207)
Affinity DataEC50: <25nMAssay Description:Agonist activity at FXR (unknown origin) by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetBile acid receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50185722BDBM50185722(CHEMBL3824207)
Affinity DataEC50:  110nMAssay Description:Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2017
Entry Details Article
PubMed