lithocholic acid [Ligand Id: 611] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL1478 (Lithocholate, Lithocholic Acid, Litocholic Acid) |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
| 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 | F | 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: Q548M1, Q7BGE6] | ||||||||
| 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: P10809, P61604] | ||||||||
| 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] |
| N-Acylphosphatidylethanolamine-phospholipase D/N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4630839] [GtoPdb: 1398] [UniProtKB: Q6IQ20] | ||||||||
| ChEMBL | Inhibition of full length human NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addition and measured at 2 mins interval for 1 hr by tecan-plate reader analysis | B | 4.17 | pIC50 | 68000 | nM | IC50 | J Med Chem (2021) 64: 481-515 [PMID:33382264] |
| 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] |
| protein tyrosine phosphatase non-receptor type 2/T-cell protein-tyrosine phosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3807] [GtoPdb: 3255] [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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
