| Reaction Details |
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 | Report a problem with these data |
| Target | Bile acid receptor |
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| Ligand | BDBM50553984 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2048200 (CHEMBL4702899) |
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| EC50 | 0.400000±n/a nM |
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| Citation |  Li, J; Liu, M; Li, Y; Sun, DD; Shu, Z; Tan, Q; Guo, S; Xie, R; Gao, L; Ru, H; Zang, Y; Liu, H; Li, J; Zhou, Y Discovery and Optimization of Non-bile Acid FXR Agonists as Preclinical Candidates for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem63:12748-12772 (2020) [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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| BDBM50553984 |
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| n/a |
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| Name | BDBM50553984 |
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| Synonyms: | CHEMBL4751757 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H31F4N3O5 |
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| Mol. Mass. | 613.5993 |
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| SMILES | Cn1cc(C(O)=O)c2ccc(cc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:10:13:19.43.18:15.16| |
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| Structure | 
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