Reaction Details |
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Target | Bile acid receptor |
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Ligand | BDBM50167245 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_854780 (CHEMBL2161911) |
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EC50 | 358±n/a nM |
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Citation | Fu, J; Si, P; Zheng, M; Chen, L; Shen, X; Tang, Y; Li, W Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking. Bioorg Med Chem Lett22:6848-53 (2012) [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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BDBM50167245 |
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n/a |
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Name | BDBM50167245 |
Synonyms: | (E)-3-{3-[Cyclohexanecarbonyl-(8-methoxy-2,2-dimethyl-2H-chromen-7-ylmethyl)-amino]-phenyl}-acrylic acid methyl ester | CHEMBL189741 |
Type | Small organic molecule |
Emp. Form. | C30H35NO5 |
Mol. Mass. | 489.6026 |
SMILES | COC(=O)\C=C\c1cccc(c1)N(Cc1ccc2C=CC(C)(C)Oc2c1OC)C(=O)C1CCCCC1 |c:19| |
Structure |
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