BDBM50375592 CHEMBL412272

SMILES C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI Key InChIKey=AWDRATDZQPNJFN-UHFFFAOYSA-N

Data  1 KI  3 IC50  3 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 = 50375592   

TargetATP-binding cassette sub-family C member 4(Human)
The Netherlands Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50375592(CHEMBL412272)
Affinity DataIC50: 6.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from MRP4-expressing HEK-293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
Centre National de la Recherche Scientifique/INSERM/ULP

Curated by ChEMBL
LigandPNGBDBM50375592(CHEMBL412272)
Affinity DataEC50:  790nMAssay Description:Agonist activity at human TGR5 expressed in CHO cells by luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
Centre National de la Recherche Scientifique/INSERM/ULP

Curated by ChEMBL
LigandPNGBDBM50375592(CHEMBL412272)
Affinity DataEC50:  8.90E+3nMAssay Description:Agonist activity at human TGR5 Y89A mutant expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
Centre National de la Recherche Scientifique/INSERM/ULP

Curated by ChEMBL
LigandPNGBDBM50375592(CHEMBL412272)
Affinity DataEC50:  680nMAssay Description:Agonist activity at wild type human TGR5 expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetBeta-galactoside alpha-2,6-sialyltransferase 1(Human)
National Yang Ming Chiao Tung University

Curated by ChEMBL
LigandPNGBDBM50375592(CHEMBL412272)
Affinity DataIC50: 5.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSialyltransferase ST3Gal-I(Rat)
National Yang Ming Chiao Tung University

Curated by ChEMBL
LigandPNGBDBM50375592(CHEMBL412272)
Affinity DataIC50: 5.00E+5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetIleal sodium/bile acid cotransporter(Human)
Wake Forest University

Curated by ChEMBL
LigandPNGBDBM50375592(CHEMBL412272)
Affinity DataKi:  1.72E+4nMAssay Description:TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed