| Reaction Details |
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 | Report a problem with these data |
| Target | Bile acid receptor |
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| Ligand | BDBM50306735 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_611887 (CHEMBL1070842) |
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| EC50 | 88±n/a nM |
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| Citation |  Lundquist, JT; Harnish, DC; Kim, CY; Mehlmann, JF; Unwalla, RJ; Phipps, KM; Crawley, ML; Commons, T; Green, DM; Xu, W; Hum, WT; Eta, JE; Feingold, I; Patel, V; Evans, MJ; Lai, K; Borges-Marcucci, L; Mahaney, PE; Wrobel, JE Improvement of physiochemical properties of the tetrahydroazepinoindole series of farnesoid X receptor (FXR) agonists: beneficial modulation of lipids in primates. J Med Chem53:1774-87 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Bile acid receptor |
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| Name: | Bile acid receptor |
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| Synonyms: | BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor |
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| Type: | Nuclear Receptor |
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| Mol. Mass.: | 55916.24 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q96RI1 |
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| Residue: | 486 |
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| Sequence: | MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYS
NVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTK
KPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCV
MDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEG
RDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLI
LTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSD
LLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEK
LQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLC
EIWDVQ
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| BDBM50306735 |
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| n/a |
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| Name | BDBM50306735 |
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| Synonyms: | 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate | CHEMBL589766 | Isopropyl 8-Fluoro-1,1-dimethyl-3-[4-(3-morpholin-4-ylpropoxy)-benzoyl]-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C32H38FN3O5 |
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| Mol. Mass. | 563.6596 |
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| SMILES | CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(OCCCN2CCOCC2)cc1 |t:6| |
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| Structure | 
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