| Reaction Details |
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 | Report a problem with these data |
| Target | Bile acid receptor |
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| Ligand | BDBM28538 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Scintillation Proximity Assay (SPA) |
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| pH | 7.4±n/a |
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| IC50 | 1420±n/a nM |
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| Comments | extracted |
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| Citation |  D3R, DD Drug Design Data Resource Grand Challenge 2 Dataset: FXR - Farnesoid X Receptor D3R D3R Publication Date 4/13/2017 |
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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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| BDBM28538 |
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| n/a |
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| Name | BDBM28538 |
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| Synonyms: | Azepino[4,5-b]indole, 6i | FXR_5 | ethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1H,2H,3H,6H-azepino[4,5-b]indole-5-carboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C24H22F2N2O3 |
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| Mol. Mass. | 424.4399 |
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| SMILES | CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:5| |
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| Structure | 
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