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-UZVSRGJWSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University Curated by ChEMBL | Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi... | Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ileal bile acid transporter/bile acid cotransporter (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wake Forest University Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells | Am J Physiol 274: 157-69 (1998) Article DOI: 10.1152/ajpgi.1998.274.1.G157 BindingDB Entry DOI: 10.7270/Q2B859C1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled bile acid receptor 1 (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a |
The Beckman Research Institute Curated by ChEMBL | Assay Description Agonist activity at human GPBAR1 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by cAMP-Glo assay | Bioorg Med Chem 23: 1613-28 (2015) Article DOI: 10.1016/j.bmc.2015.01.048 BindingDB Entry DOI: 10.7270/Q2SF2XTX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin Curated by ChEMBL | Assay Description Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induce... | Eur J Med Chem 109: 238-46 (2016) Article DOI: 10.1016/j.ejmech.2016.01.002 BindingDB Entry DOI: 10.7270/Q21N82ZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a |
University of Wisconsin Curated by ChEMBL | Assay Description Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluore... | Eur J Med Chem 109: 238-46 (2016) Article DOI: 10.1016/j.ejmech.2016.01.002 BindingDB Entry DOI: 10.7270/Q21N82ZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a |
University of Wisconsin Curated by ChEMBL | Assay Description Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluore... | Eur J Med Chem 109: 238-46 (2016) Article DOI: 10.1016/j.ejmech.2016.01.002 BindingDB Entry DOI: 10.7270/Q21N82ZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin Curated by ChEMBL | Assay Description Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluore... | Eur J Med Chem 109: 238-46 (2016) Article DOI: 10.1016/j.ejmech.2016.01.002 BindingDB Entry DOI: 10.7270/Q21N82ZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ubiquitin-specific peptidase 2a (USP2a) (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University | Assay 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 ... | Cell Chem Biol 24: 458-470 (2017) Article DOI: 10.1016/j.chembiol.2017.03.002 BindingDB Entry DOI: 10.7270/Q21R6PDF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled bile acid receptor 1 (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.64E+4 | n/a | n/a | n/a | n/a |
Centre National de la Recherche Scientifique (CNRS) Curated by ChEMBL | Assay Description Agonist activity at human TGR5 expressed in CHO cells by luciferase assay | J Med Chem 51: 1831-41 (2008) Article DOI: 10.1021/jm7015864 BindingDB Entry DOI: 10.7270/Q2222VNJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid transporter (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | DrugBank PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cells | J Pharmacol Exp Ther 291: 1204-9 (1999) BindingDB Entry DOI: 10.7270/Q2NS0W06 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.99E+5 | n/a | n/a | n/a | n/a |
Trinity College Dublin Curated by ChEMBL | Assay Description Modulation of glucocorticoid receptor in human SKGT4 cells assessed as receptor translocation from cytoplasm to nucleus after 4 hrs by Hoechst staini... | J Med Chem 54: 122-30 (2011) Article DOI: 10.1021/jm100860s BindingDB Entry DOI: 10.7270/Q2WM1FCK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University Curated by ChEMBL | Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi... | Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | Article PCBioAssay | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2008) Article DOI: 10.1021/cb400452z BindingDB Entry DOI: 10.7270/Q27H1H0J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile acid receptor (Homo sapiens (Human)) | BDBM53721![]() ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Centre National de la Recherche Scientifique (CNRS) Curated by ChEMBL | Assay Description Agonist activity at human FXR expressed in COS1 cells by luciferase assay | J Med Chem 51: 1831-41 (2008) Article DOI: 10.1021/jm7015864 BindingDB Entry DOI: 10.7270/Q2222VNJ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |