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ChEMBL ligand: CHEMBL566315 (6-ecdca, 6-ethylchenodeoxycholic acid, DSP-1747, INT-747, Obeticholic acid, Ocaliva) |
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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 | Agonist activity at FXR (unknown origin) by coactivator recruitment assay | B | 4 | pEC50 | 99000 | nM | EC50 | J Med Chem (2014) 57: 8035-8055 [PMID:25255039] |
ChEMBL | Agonist activity at FXR transfected in human HEK293T cells o-expressing pGL3/hBSEP/luc incubated for 24 hrs by Steady-Glo reagent based luciferase reporter gene assay | B | 4.38 | pEC50 | 42000 | nM | EC50 | J Med Chem (2020) 63: 3868-3880 [PMID:31940200] |
ChEMBL | Agonist activity at GST-tagged human FXR-LBD (193 to 472 residues) using biotinylated SRC-1 peptide as substrate incubated for 1 hrs by HTRF assay | B | 5 | pEC50 | 10000 | nM | EC50 | J Med Chem (2020) 63: 3868-3880 [PMID:31940200] |
ChEMBL | Agonist activity at human FXR expressed in HEK293 cells measured after 18 hrs by steady-glo luciferase reporter gene assay | B | 6.15 | pEC50 | 710 | nM | EC50 | J Med Chem (2020) 63: 12748-12772 [PMID:32991173] |
ChEMBL | Transactivation of human FXR (unknown origin) expressed in HepG2 cells co-expressing pSG5RXR/pGL4.70 after 24 hrs post transfection by luciferase reporter gene assay | B | 6.3 | pEC50 | 500 | nM | EC50 | ACS Med Chem Lett (2019) 10: 407-412 [PMID:30996771] |
ChEMBL | Agonist activity at human FXR expressed in COS1 cells after 5 hrs by CRE-driven luciferase reporter gene assay | F | 6.44 | pEC50 | 361 | nM | EC50 | J Med Chem (2007) 50: 4265-4268 [PMID:17685603] |
ChEMBL | Agonist activity at GST-tagged human FXR LBD assessed as induction of biotinylated coactivator SRC-1 peptide recruitment measured after 2 hrs by streptavidin-conjugated AlphaScreen assay | B | 6.54 | pEC50 | 290 | nM | EC50 | J Med Chem (2020) 63: 12748-12772 [PMID:32991173] |
ChEMBL | Agonist activity at human GST-fused FXR LBD assessed as coactivator interaction with receptor ligand binding domain by Alphascreen assay | B | 6.7 | pEC50 | 200 | nM | EC50 | Bioorg Med Chem (2011) 19: 2650-2658 [PMID:21459580] |
ChEMBL | Agonist activity at recombinant human GST-tagged FXR LBD (193 to 472 residues) expressed in baculovirus-infected insect cells assessed as recruitment of biotinylated SRC1 peptide measured after 1 hr by Alphascreen assay | B | 6.74 | pEC50 | 180 | nM | EC50 | ACS Med Chem Lett (2017) 8: 1246-1251 [PMID:29259742] |
ChEMBL | Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene assay | B | 6.8 | pEC50 | 160 | nM | EC50 | J Med Chem (2014) 57: 8035-8055 [PMID:25255039] |
ChEMBL | Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene assay | B | 6.8 | pEC50 | 160 | nM | EC50 | Bioorg Med Chem (2015) 23: 3490-3498 [PMID:25934227] |
ChEMBL | Agonist activity at glutathione transferase-tagged human FXR-LBD using biotinylated Src-1 peptide incubated for 30 mins by recruitment coactivator assay | B | 6.82 | pEC50 | 150 | nM | EC50 | J Med Chem (2016) 59: 9201-9214 [PMID:27652492] |
GtoPdb | - | - | 7 | pEC50 | 99 | nM | EC50 | J Med Chem (2002) 45: 3569-72 [PMID:12166927] |
ChEMBL | Agonist activity at FXR (unknown origin) assessed as recruitment of SRC1 peptide to FXR by FRET assay | B | 7 | pEC50 | 100 | nM | EC50 | J Med Chem (2017) 60: 5235-5266 [PMID:28252961] |
ChEMBL | Agonist activity at FXR (unknown origin) | B | 7 | pEC50 | 99 | nM | EC50 | J Med Chem (2020) 63: 5031-5073 [PMID:31930920] |
ChEMBL | Activation of human farnesoid X receptor | B | 7 | pEC50 | 99 | nM | EC50 | J Med Chem (2005) 48: 5383-5403 [PMID:16107136] |
ChEMBL | Binding affinity for Farnesoid X Receptor (FXR) | B | 7 | pEC50 | 99 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 1865-1868 [PMID:12749886] |
ChEMBL | Effective concentration against Farnesoid X receptor (FXR) | B | 7 | pEC50 | 99 | nM | EC50 | J Med Chem (2002) 45: 3569-3572 [PMID:12166927] |
ChEMBL | Agonist activity at FXR expressed in COS1 cells by cell-based bioluminescence assay | F | 7 | pEC50 | 99 | nM | EC50 | J Med Chem (2009) 52: 7958-7961 [PMID:20014870] |
ChEMBL | Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay | F | 7.01 | pEC50 | 98 | nM | EC50 | J Med Chem (2006) 49: 4208-4215 [PMID:16821780] |
ChEMBL | Binding affinity for human Farnesoid X receptor in FRET assay | B | 7.05 | pEC50 | 90 | nM | EC50 | J Med Chem (2004) 47: 4559-4569 [PMID:15317466] |
ChEMBL | Agonist activity at FXR (unknown origin) by reporter gene assay | B | 7.07 | pEC50 | 85 | nM | EC50 | J Med Chem (2014) 57: 8035-8055 [PMID:25255039] |
ChEMBL | Agonist activity at FXR (unknown origin) by cell based assay | B | 7.07 | pEC50 | 85 | nM | EC50 | J Med Chem (2020) 63: 5031-5073 [PMID:31930920] |
ChEMBL | Agonist activity at human FXR expressed in HEK293T cells assessed as BSEP promoter driven cellular transcriptional activity after 24 hrs by luciferase reporter gene assay | B | 7.38 | pEC50 | 42 | nM | EC50 | J Med Chem (2017) 60: 9960-9973 [PMID:29148806] |
ChEMBL | Agonist activity at recombinant human GST-tagged FXR ligand binding domain (193 to 472 residues) expressed in baculovirus infected insect cells assessed as induction of interaction with biotin labelled SRC-1 after 1 hr by HTRF assay | B | 8 | pEC50 | 10 | nM | EC50 | J Med Chem (2017) 60: 9960-9973 [PMID:29148806] |
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 human TGR5 receptor expressed in NCI-H716 cells assessed as intracellular cAMP level by TR-FRET assay | F | 4.7 | pEC50 | 20000 | nM | EC50 | Bioorg Med Chem (2011) 19: 2650-2658 [PMID:21459580] |
ChEMBL | Agonist activity at TGR5 in human NCI-H716 cells assessed as stimulation of intracellular cAMP accumulation incubated for 60 mins by HTR-FRET assay | F | 4.82 | pEC50 | 15000 | nM | EC50 | J Med Chem (2016) 59: 9201-9214 [PMID:27652492] |
ChEMBL | Agonist activity at human TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 1 hr by TR-FRET assay | F | 6.08 | pEC50 | 840 | nM | EC50 | ACS Med Chem Lett (2017) 8: 1246-1251 [PMID:29259742] |
ChEMBL | Agonist activity at human TGR5 expressed in CHO cells after 5 hrs by CRE-driven luciferase reporter gene assay | F | 6.12 | pEC50 | 755 | nM | EC50 | J Med Chem (2007) 50: 4265-4268 [PMID:17685603] |
ChEMBL | Agonist activity at wild type TGR5 (unknown origin) | B | 7 | pEC50 | 100 | nM | EC50 | ACS Med Chem Lett (2013) 4: 1158-1162 [PMID:24900622] |
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]