lithocholic acid [Ligand Id: 611] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1478 (Litocholic Acid, Lithocholic Acid, Lithocholate)
  • Farnesoid X receptor/Bile acid receptor FXR in Human [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1]
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  • CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 in Human [ChEMBL: CHEMBL3596074] [UniProtKB: Q11201]
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  • EPH receptor A2/Ephrin type-A receptor 2 in Human [ChEMBL: CHEMBL2068] [GtoPdb: 1822] [UniProtKB: P29317]
  • EPH receptor A2/Ephrin type-A receptor 2 in Mouse [ChEMBL: CHEMBL4105859] [GtoPdb: 1822] [UniProtKB: Q03145]
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  • GPBA receptor/G-protein coupled bile acid receptor 1 in Human [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6]
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  • protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
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  • T-cell protein-tyrosine phosphatase in Human [ChEMBL: CHEMBL3807] [UniProtKB: P17706]
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  • Pregnane X receptor in Human [GtoPdb: 606] [UniProtKB: O75469]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Farnesoid X receptor/Bile acid receptor FXR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1]
ChEMBL Antagonist activity at human GST-tagged FXR after 20 mins by TR-FRET assay B 7.74 pIC50 18.3 nM IC50 Bioorg. Med. Chem. (2014) 22: 2919-2938 [PMID:24775917]
ChEMBL Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assay B 4 pEC50 >100000 nM EC50 Eur J Med Chem (2018) 144: 349-358 [PMID:29275233]
ChEMBL Agonist activity at human FXR expressed in COS1 cells by luciferase assay F 4.7 pEC50 20000 nM EC50 J. Med. Chem. (2008) 51: 1831-1841 [PMID:18307294]
ChEMBL Agonist activity at human FXR expressed in COS1 cells by luciferase reporter gene assay F 5.17 pEC50 6700 nM EC50 J. Med. Chem. (2010) 53: 178-190 [PMID:19911773]
CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3596074] [UniProtKB: Q11201]
ChEMBL Inhibition of ST3Gal 1 (unknown origin) B 4.68 pIC50 21000 nM IC50 MedChemComm (2014) 5: 1106-1125
EPH receptor A2/Ephrin type-A receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2068] [GtoPdb: 1822] [UniProtKB: P29317]
ChEMBL Inhibition of ephrin-A1-Fc binding to EphA2-Fc receptor (unknown origin) after 1 hr by ELISA B 4.24 pIC50 57543.99 nM IC50 J. Med. Chem. (2013) 56: 2936-2947 [PMID:23489211]
ChEMBL Antagonist activity at EphA2 in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated EphA2 phosphorylation pretreated for 20 mins by sandwich ELISA B 4.3 pIC50 50000 nM IC50 J. Med. Chem. (2013) 56: 2936-2947 [PMID:23489211]
EPH receptor A2/Ephrin type-A receptor 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105859] [GtoPdb: 1822] [UniProtKB: Q03145]
ChEMBL Displacement of biotinylated ephrin-A1-Fc from recombinant mouse EphA2 receptor preincubated for 1 hr followed by biotinylated ephrin-A1-Fc addition measured after 4 hrs by ELISA method B 4.1 pIC50 79000 nM IC50 J Med Chem (2017) 60: 787-796 [PMID:28005388]
ChEMBL Displacement of biotinylated ephrinA1-Fc from recombinant mouse EphA2 Fc chimera protein by ELISA B 4.24 pIC50 57000 nM IC50 Eur J Med Chem (2017) 142: 152-162 [PMID:28780190]
GPBA receptor/G-protein coupled bile acid receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6]
ChEMBL Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay F 5.25 pEC50 5600 nM EC50 J. Med. Chem. (2010) 53: 178-190 [PMID:19911773]
ChEMBL Agonist activity at TGR5 expressed in NCI-H716 cells assessed as cAMP level after 60 mins by FRET analysis F 5.3 pEC50 5000 nM EC50 ACS Med. Chem. Lett. (2012) 3: 273-277 [PMID:24900463]
ChEMBL Agonist activity at wild type TGR5 (unknown origin) B 6.14 pEC50 730 nM EC50 ACS Med. Chem. Lett. (2013) 4: 1158-1162 [PMID:24900622]
ChEMBL Agonist activity at human GPBAR1 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by cAMP-Glo assay B 6.17 pEC50 680 nM EC50 Bioorg. Med. Chem. (2015) 23: 1613-1628 [PMID:25735208]
ChEMBL Agonist activity at human TGR5 expressed in CHO cells by luciferase assay F 6.24 pEC50 580 nM EC50 J. Med. Chem. (2008) 51: 1831-1841 [PMID:18307294]
GtoPdb - - 7.5 pEC50 - - - Biochem Biophys Res Commun (2002) 298: 714-9 [PMID:12419312]
GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1Q7BGE6]
ChEMBL Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis B 4.23 pIC50 59000 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
ChEMBL Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis B 4.8 pIC50 16000 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809P61604]
ChEMBL Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis B 5 pIC50 10000 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
Plasmodium falciparum 3D7 (target type: ORGANISM) [ChEMBL: CHEMBL2366922]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as reduction in parasite viability by parasite lactate dehydrogenase assay F 4.57 pIC50 26900 nM IC50 Eur. J. Med. Chem. (2015) 100: 10-17 [PMID:26063305]
protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
ChEMBL Inhibition of PTP1B by para-nitrophenyl phosphate release assay B 4.89 pIC50 12740 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 7237-7242 [PMID:23067554]
T-cell protein-tyrosine phosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3807] [UniProtKB: P17706]
ChEMBL Inhibition of TCPTP by para-nitrophenyl phosphate release assay B 4.69 pIC50 20450 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 7237-7242 [PMID:23067554]
Vitamin D receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1977] [GtoPdb: 605] [UniProtKB: P11473]
ChEMBL Binding affinity to N-terminal His-tagged human VDR LBD (118 to 427) by reverse isothermal titration calorimetric analysis B 4.72 pKd 18870 nM Kd J. Med. Chem. (2014) 57: 4710-4719 [PMID:24818857]
ChEMBL Binding affinity to N-terminal His-tagged human VDR LBD low-affinity site (118 to 427) by direct isothermal titration calorimetric analysis B 5.02 pKd 9520 nM Kd J. Med. Chem. (2014) 57: 4710-4719 [PMID:24818857]
ChEMBL Binding affinity to N-terminal His-tagged human VDR LBD canonical site (118 to 427) by direct isothermal titration calorimetric analysis B 6.48 pKd 330 nM Kd J. Med. Chem. (2014) 57: 4710-4719 [PMID:24818857]
GtoPdb - - 5.1 pKi - - - Science (2002) 296: 1313-6 [PMID:12016314]
ChEMBL Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induced SRC1 coactivator peptide recruitment after 16 hrs by luciferase reporter gene based two hybrid assay B 4.33 pIC50 46700 nM IC50 Eur. J. Med. Chem. (2016) 109: 238-246 [PMID:26774929]
ChEMBL Antagonist activity against VDR-LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of VDR agonist LG190178-induced SRC2-3 coactivator peptide recruitment after 30 mins by fluorescence polarization assay B 4.87 pIC50 13600 nM IC50 Eur. J. Med. Chem. (2016) 109: 238-246 [PMID:26774929]
ChEMBL Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluorescence polarization assay B 4.3 pEC50 >50000 nM EC50 Eur. J. Med. Chem. (2016) 109: 238-246 [PMID:26774929]
ChEMBL Agonist activity at VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as SRC1 coactivator peptide recruitment after 16 hrs by luciferase reporter gene based two hybrid assay B 5.67 pEC50 2140 nM EC50 Eur. J. Med. Chem. (2016) 109: 238-246 [PMID:26774929]
Pregnane X receptor in Human [GtoPdb: 606] [UniProtKB: O75469]
GtoPdb - - 5.05 pEC50 - - - Proc Natl Acad Sci USA (2001) 98: 3369-74 [PMID:11248085]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]