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ChEMBL ligand: CHEMBL240597 (Anthropodeoxycholic acid, Anthropodesoxycholic acid, Anthropododesoxycholic acid, Chendol, Chendol 125, Chendol 250, Chenic acid, Chenix, Chenocedon, Chenocol, Chenodeoxycholate, Chenodeoxycholic acid, Chenodeoxycholic acid leadiant (previously known as chenodeoxycholic acid sigma-tau), Chenodesoxycholic acid, Chenodiol, Chenofalk, Chenossil, Cholanorm, Combidol, Fluibil, Gallodesoxycholic acid, Lithofalk, NSC-657949, NSC-757798, Xenbilox) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Bile acid receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5343] [UniProtKB: Q60641] | ||||||||
ChEMBL | Agonist activity at mouse FXR expressed in HEK293 cells co-expressing mouse RXRalpha and ECRE-luc by luciferase reporter gene assay | F | 4.77 | pEC50 | 16800 | nM | EC50 | Bioorg Med Chem (2011) 19: 7168-7180 [PMID:22018919] |
Farnesoid X receptor/Bile acid receptor FXR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2047] [GtoPdb: 603] [UniProtKB: Q96RI1] | ||||||||
ChEMBL | Activation of human farnesoid X receptor; range is 10-30 | B | 4.52 | pEC50 | 30000 | nM | EC50 | J Med Chem (2005) 48: 5383-5403 [PMID:16107136] |
ChEMBL | Agonist activity at human recombinant FXR expressed in HEK293 cells coexpressing CMX-GAL4N by luciferase reporter gene assay | F | 4.57 | pEC50 | 27000 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 3962-3966 [PMID:22583617] |
ChEMBL | Agonistic activity at FXR in HEK293 cells by GAL4 transactivation activity | F | 4.57 | pEC50 | 27000 | nM | EC50 | Bioorg Med Chem (2007) 15: 2587-2600 [PMID:17292610] |
ChEMBL | Agonist activity at human GST-fused FXR LBD assessed as coactivator interaction with receptor ligand binding domain by Alphascreen assay | B | 4.68 | pEC50 | 21000 | nM | EC50 | Bioorg Med Chem (2011) 19: 2650-2658 [PMID:21459580] |
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 | 4.7 | pEC50 | 20000 | nM | EC50 | ACS Med Chem Lett (2019) 10: 407-412 [PMID:30996771] |
ChEMBL | Agonist activity at farnesoid x receptor(unknown origin) | B | 4.74 | pEC50 | 18000 | nM | EC50 | Bioorg Med Chem (2016) 24: 3232-3245 [PMID:27240466] |
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 | 4.74 | pEC50 | 18000 | 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 | 4.74 | pEC50 | 18000 | nM | EC50 | Bioorg Med Chem (2015) 23: 3490-3498 [PMID:25934227] |
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 | 4.82 | pEC50 | 15000 | nM | EC50 | Eur J Med Chem (2018) 144: 349-358 [PMID:29275233] |
ChEMBL | Agonist activity at FXR expressed in COS1 cells by cell-based bioluminescence assay | F | 4.89 | pEC50 | 13000 | nM | EC50 | J Med Chem (2009) 52: 7958-7961 [PMID:20014870] |
ChEMBL | Agonist activity at GST-tagged FXR-LBD using biotinylated-SRC-1 peptide as substrate preincubated with compound for 30 mins measured after 4 hrs | F | 4.89 | pEC50 | 13000 | nM | EC50 | ACS Med Chem Lett (2012) 3: 273-277 [PMID:24900463] |
ChEMBL | Agonist activity at human FXR expressed in COS1 cells after 5 hrs by CRE-driven luciferase reporter gene assay | F | 4.89 | pEC50 | 13000 | nM | EC50 | J Med Chem (2007) 50: 4265-4268 [PMID:17685603] |
ChEMBL | Agonist activity at FXR (unknown origin) | B | 4.89 | pEC50 | 13000 | nM | EC50 | Bioorg Med Chem (2016) 24: 3986-3993 [PMID:27372840] |
ChEMBL | Agonist activity at human FXR expressed in COS1 cells by luciferase assay | F | 4.89 | pEC50 | 13000 | nM | EC50 | J Med Chem (2008) 51: 1831-1841 [PMID:18307294] |
ChEMBL | Agonist activity at human recombinant FXR by transactivation of TK-MH100x4-LUC reporter gene in HEK293 cells | F | 4.93 | pEC50 | 11700 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 3213-3218 [PMID:16617018] |
ChEMBL | Agonist activity at glutathione transferase-tagged human FXR-LBD using biotinylated Src-1 peptide incubated for 30 mins by recruitment coactivator assay | B | 5 | pEC50 | 10000 | nM | EC50 | J Med Chem (2016) 59: 9201-9214 [PMID:27652492] |
ChEMBL | Agonist activity at FXR | F | 5 | pEC50 | 10000 | nM | EC50 | Bioorg Med Chem (2011) 19: 6779-6791 [PMID:22014750] |
ChEMBL | Agonist activity at FXR (unknown origin) assessed as recruitment of SRC1 peptide to FXR by FRET assay | B | 5.05 | pEC50 | 9000 | nM | EC50 | J Med Chem (2017) 60: 5235-5266 [PMID:28252961] |
ChEMBL | Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay | F | 5.06 | pEC50 | 8660 | nM | EC50 | J Med Chem (2006) 49: 4208-4215 [PMID:16821780] |
ChEMBL | Binding affinity for Farnesoid X Receptor (FXR) | B | 5.06 | pEC50 | 8660 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 1865-1868 [PMID:12749886] |
ChEMBL | Binding affinity for human Farnesoid X receptor in FRET assay | B | 5.06 | pEC50 | 8660 | nM | EC50 | J Med Chem (2004) 47: 4559-4569 [PMID:15317466] |
ChEMBL | Agonist activity at human FXR assessed as recruitment of SRC1 peptide by TR-FRET assay | B | 5.06 | pEC50 | 8660 | nM | EC50 | ACS Med Chem Lett (2017) 8: 1246-1251 [PMID:29259742] |
ChEMBL | Effective concentration against Farnesoid X receptor (FXR) | B | 5.06 | pEC50 | 8660 | nM | EC50 | J Med Chem (2002) 45: 3569-3572 [PMID:12166927] |
ChEMBL | Agonist activity at FXR (unknown origin) | B | 5.06 | pEC50 | 8660 | nM | EC50 | J Med Chem (2020) 63: 5031-5073 [PMID:31930920] |
ChEMBL | Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotinylated SRC-1 recruitment after 30 mins by Alpha Screen assay | B | 5.1 | pEC50 | 8000 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
ChEMBL | Transactivation of full-length FXR (unknown origin) expressed in HEK293 cells after 18 hrs by dual-glo luciferase reporter gene assay | B | 5.15 | pEC50 | 7010 | nM | EC50 | Medchemcomm (2018) 9: 1630-1638 [PMID:30393515] |
ChEMBL | Agonist activity at FXR assessed as activation by cell based luciferase transactivation assay | F | 5.2 | pEC50 | 6310 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 5497-5502 [PMID:18815030] |
GtoPdb | - | - | 5.3 | pEC50 | - | - | - |
Science (1999) 284: 1365-8 [PMID:10334993]; Mol Cell (1999) 3: 543-53 [PMID:10360171] |
ChEMBL | Effective concentration for recruitment of SRC-1 LxxLL-containing peptide to human Farnesoid X receptor | B | 5.46 | pEC50 | 3500 | nM | EC50 | J Med Chem (2005) 48: 5383-5403 [PMID:16107136] |
ChEMBL | Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay | B | 5.47 | pEC50 | 3400 | nM | EC50 | J Med Chem (2000) 43: 2971-2974 [PMID:10956205] |
Retinoid X receptor-α/Bile acid receptor/Retinoic acid receptor RXR-alpha in Mouse (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885529] [GtoPdb: 610] [UniProtKB: P28700, Q60641] | ||||||||
ChEMBL | Agonist activity at full length mouse FXR/RXRalpha expressed in human HEK293 cells assessed as induction of transcriptional activity after 18 hrs by dual luciferase reporter gene assay | F | 4.77 | pEC50 | 16800 | nM | EC50 | Bioorg Med Chem (2011) 19: 6779-6791 [PMID:22014750] |
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 in human NCI-H716 cells assessed as increase in cAMP accumulation after 60 mins by HTR-FRET assay | F | 4.48 | pEC50 | 33000 | nM | EC50 | J Med Chem (2019) 62: 6824-6830 [PMID:31268316] |
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 | 4.48 | pEC50 | 33000 | nM | EC50 | J Med Chem (2016) 59: 9201-9214 [PMID:27652492] |
ChEMBL | Agonist activity at human TGR5 receptor expressed in NCI-H716 cells assessed as intracellular cAMP level by TR-FRET assay | F | 4.52 | pEC50 | 30000 | nM | EC50 | Bioorg Med Chem (2011) 19: 2650-2658 [PMID:21459580] |
ChEMBL | Agonist activity at recombinant human TGR5 expressed in CHO cells assessed as increase in cAMP accumulation after 30 mins by TR-FRET assay | F | 4.81 | pEC50 | 15600 | nM | EC50 | J Med Chem (2019) 62: 6824-6830 [PMID:31268316] |
ChEMBL | Agonist activity at wild type TGR5 (unknown origin) | B | 4.99 | pEC50 | 10290 | nM | EC50 | ACS Med Chem Lett (2013) 4: 1158-1162 [PMID:24900622] |
ChEMBL | Agonist activity at human TGR5 expressed in CHO cells after 5 hrs by CRE-driven luciferase reporter gene assay | F | 5.17 | pEC50 | 6710 | nM | EC50 | J Med Chem (2007) 50: 4265-4268 [PMID:17685603] |
ChEMBL | Agonist activity at human TGR5 expressed in CHO cells by luciferase assay | F | 5.17 | pEC50 | 6710 | nM | EC50 | J Med Chem (2008) 51: 1831-1841 [PMID:18307294] |
ChEMBL | Agonist activity at TGR5 expressed in NCI-H716 cells assessed as cAMP level after 60 mins by FRET analysis | F | 5.17 | pEC50 | 6700 | nM | EC50 | ACS Med Chem Lett (2012) 3: 273-277 [PMID:24900463] |
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 | 5.21 | pEC50 | 6100 | nM | EC50 | Bioorg Med Chem (2015) 23: 1613-1628 [PMID:25735208] |
GtoPdb | - | - | 5.4 | pEC50 | - | - | - | Biochem Biophys Res Commun (2002) 298: 714-9 [PMID:12419312] |
Sodium/bile acid and sulphated solute cotransporter 2/Ileal bile acid transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2778] [GtoPdb: 960] [UniProtKB: Q12908] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells | F | 5.48 | pKi | 3300 | nM | Ki | Am J Physiol (1998) 274: G157-G169 [PMID:9458785] |
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 | 4.72 | pIC50 | 18900 | nM | IC50 | Eur J Med Chem (2015) 100: 10-17 [PMID:26063305] |
Vitamin D receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1977] [GtoPdb: 605] [UniProtKB: P11473] | ||||||||
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 | 4.3 | pIC50 | >50000 | nM | IC50 | Eur J Med Chem (2016) 109: 238-246 [PMID:26774929] |
FPR1 in Human [GtoPdb: 222] [UniProtKB: P21462] | ||||||||
GtoPdb | - | - | 4 | pKi | - | - | - | Inflamm Res (2000) 49: 744-55 [PMID:11211928] |
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]