BDBM50185712 CHEMBL3822953

SMILES O=C(NCCS(=O)(=O)O)c1ccc(C2CC2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1

InChI Key InChIKey=KCIHDFUMQGXFFF-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50185712   

TargetBile acid receptor(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50185712BDBM50185712(CHEMBL3822953)
Affinity DataEC50:  76nMAssay 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 50185712BDBM50185712(CHEMBL3822953)
Affinity DataEC50:  1.37E+3nMAssay 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