BDBM50459096 CHEMBL4217797

SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)NCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl

InChI Key InChIKey=ROSGDMMWEXIKFJ-UHFFFAOYSA-N

Data  2 IC50  3 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 5 hits for monomerid = 50459096   

TargetG-protein coupled bile acid receptor 1(Mouse)
Ardelyx

Curated by ChEMBL
LigandPNGBDBM50459096(CHEMBL4217797)
Affinity DataEC50:  2nMAssay Description:Agonist activity at mouse TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Ardelyx

Curated by ChEMBL
LigandPNGBDBM50459096(CHEMBL4217797)
Affinity DataEC50: <5.01E+4nMAssay Description:Activation of human FXRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetIleal sodium/bile acid cotransporter(Mouse)
Ardelyx

Curated by ChEMBL
LigandPNGBDBM50459096(CHEMBL4217797)
Affinity DataIC50: 2.51E+4nMAssay Description:Inhibition of mouse IBAT expressed in COS cells assessed as reduction in [3H]taurocholic acid uptakeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
Ardelyx

Curated by ChEMBL
LigandPNGBDBM50459096(CHEMBL4217797)
Affinity DataEC50:  32nMAssay Description:Agonist activity at human TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetIleal sodium/bile acid cotransporter(Human)
Ardelyx

Curated by ChEMBL
LigandPNGBDBM50459096(CHEMBL4217797)
Affinity DataIC50: 2.51E+4nMAssay Description:Inhibition of human IBAT expressed in COS cells assessed as reduction in [3H]taurocholic acid uptakeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed