Reaction Details |
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Target | Bile acid receptor |
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Ligand | BDBM50553985 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2048200 (CHEMBL4702899) |
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EC50 | 0.500000±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 |
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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BDBM50553985 |
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n/a |
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Name | BDBM50553985 |
Synonyms: | CHEMBL4781153 |
Type | Small organic molecule |
Emp. Form. | C33H33F4N3O5 |
Mol. Mass. | 627.6258 |
SMILES | CCn1cc(C(O)=O)c2ccc(cc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:11:14:20.44.19:16.17| |
Structure |
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