BDBM53721 (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid::(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid::(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid::(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid::3alpha,7beta-dihydroxycholanic acid::Actigall::CHEMBL1551::MLS000028461::SMR000058403::UDCA::URSODEOXYCHOLIC ACID::URSODIOL::Urso 250::Urso forte::Ursodesoxycholic Acid::cid_31401::ursodeoxycholicacid

SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key InChIKey=RUDATBOHQWOJDD-UHFFFAOYSA-N

Data  2 KI  10 IC50  8 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 53721   

TargetCDGSH iron-sulfur domain-containing protein 1(Human)
West Virginia University

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataKi:  1.13E+3nMAssay Description:Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2018
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
The Beckman Research Institute

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataEC50:  2.39E+3nMAssay Description:Agonist activity at human GPBAR1 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by cAMP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2016
Entry Details Article
PubMed
TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 2.60E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetSodium/bile acid cotransporter(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 3.60E+3nMAssay Description:TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details
PubMed
TargetAutotaxin(Human)
Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 9.26E+3nMAssay Description:Inhibition of human ATX in using LPC as substrate by fluorescence based microplate reader assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
TargetCDGSH iron-sulfur domain-containing protein 1(Human)
West Virginia University

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 2.65E+4nMAssay Description:Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2018
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
The Beckman Research Institute

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataEC50:  3.64E+4nMAssay 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
TargetVitamin D3 receptor(Human)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 5.00E+4nMAssay Description:Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetBeta-galactoside alpha-2,6-sialyltransferase 1(Human)
National Yang Ming Chiao Tung University

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human N-terminal His tagged ST6GAL1 (44 to 406 residues) by UPLC-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetBile acid receptor(Human)
Centre National de la Recherche Scientifique/INSERM/ULP

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataEC50: >5.00E+4nMAssay Description:Agonist activity at human FXR expressed in COS1 cells by luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetIleal sodium/bile acid cotransporter(Human)
Wake Forest University

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataKi:  7.50E+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
TargetUbiquitin carboxyl-terminal hydrolase 2 [258-605](Human)
Jagiellonian University

LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 1.00E+5nMAssay Description:The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2017
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Centre National de la Recherche Scientifique/INSERM/ULP

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at glutathione transferase-tagged human FXR-LBD using biotinylated Src-1 peptide incubated for 30 mins by recruitment coactivator as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetG-protein coupled bile acid receptor 1(Human)
The Beckman Research Institute

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at TGR5 in human NCI-H716 cells assessed as stimulation of intracellular cAMP accumulation incubated for 60 mins by HTR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataEC50: >1.50E+5nMAssay Description:Agonist activity at VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as SRC1 coactivator peptide recruitment after 16 hrs by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 1.50E+5nMAssay Description:Antagonist activity against VDR-LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of VDR agonist LG190178-induced SRC2-3 coac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
University of Wisconsin

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataEC50: >1.50E+5nMAssay Description:Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2017
Entry Details Article
PubMed
TargetGlucocorticoid receptor(Human)
Trinity College Dublin

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataEC50:  2.99E+5nMAssay Description:Modulation of glucocorticoid receptor in human SKGT4 cells assessed as receptor translocation from cytoplasm to nucleus after 4 hrs by Hoechst staini...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed
TargetSialyltransferase ST3Gal-I(Rat)
National Yang Ming Chiao Tung University

Curated by ChEMBL
LigandPNGBDBM53721(MLS000028461 | Urso 250 | ursodeoxycholicacid | (4...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of rat ST3GAL1 by UPLC-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed