Reaction Details |
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Target | Bile acid receptor |
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Ligand | BDBM50306723 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_611887 (CHEMBL1070842) |
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EC50 | 194±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 |
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 |
Type: | Nuclear Receptor |
Mol. Mass.: | 55916.24 |
Organism: | Homo sapiens (Human) |
Description: | Q96RI1 |
Residue: | 486 |
Sequence: | MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYS
NVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTK
KPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCV
MDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEG
RDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLI
LTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSD
LLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEK
LQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLC
EIWDVQ
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BDBM50306723 |
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n/a |
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Name | BDBM50306723 |
Synonyms: | CHEMBL592647 | Isopropyl 1,1-Dimethyl-3-{4-[3-(4-methylpiperazin-1-yl)propoxy]benzoyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate |
Type | Small organic molecule |
Emp. Form. | C33H42N4O4 |
Mol. Mass. | 558.711 |
SMILES | CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCN(C)CC2)cc1 |t:6| |
Structure |
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