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ChEMBL ligand: CHEMBL1478 (Lithocholate, Lithocholic Acid, Litocholic Acid) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
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] |
ChEMBL | Inhibition of PTP1B (unknown origin) by SpectraMax 340 microplate reader Analysis | B | 5.57 | pIC50 | 2710 | nM | IC50 | Eur J Med Chem (2021) 221: 113511-113511 [PMID:34000484] |
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] |
ChEMBL | Inhibition of TCPTP (unknown origin) by SpectraMax 340 microplate reader Analysis | B | 5.21 | pIC50 | 6120 | nM | IC50 | Eur J Med Chem (2021) 221: 113511-113511 [PMID:34000484] |
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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]