BDBM50399965 CHEMBL2181246

SMILES c1ccc2c(c1)CCCN2C(=O)c3cccnc3Oc4cc(ccc4Cl)Cl

InChI Key InChIKey=AUSHPRSBIDTALC-UHFFFAOYSA-N

Data  5 EC50

PDB links: 1 PDB ID matches this monomer.

  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 = 50399965   

TargetG-protein coupled bile acid receptor 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50399965(CHEMBL2181246)
Affinity DataEC50:  10nMAssay Description:Agonist activity at TGR5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetG-protein coupled bile acid receptor 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50399965(CHEMBL2181246)
Affinity DataEC50:  10nMAssay Description:Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetG-protein coupled bile acid receptor 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50399965(CHEMBL2181246)
Affinity DataEC50:  10nMAssay Description:Agonist activity at GPBAR1 in human NCI-H716 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetG-protein coupled bile acid receptor 1(Mouse)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50399965(CHEMBL2181246)
Affinity DataEC50:  2.56E+3nMAssay Description:Agonist activity at mouse TGR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50399965(CHEMBL2181246)
Affinity DataEC50:  10nMAssay Description:Agonist activity at human TGR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)