| Reaction Details |
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 | Report a problem with these data |
| Target | G-protein coupled bile acid receptor 1 |
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| Ligand | BDBM50003407 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1335572 (CHEMBL3239427) |
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| IC50 | 90±n/a nM |
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| Citation |  Phillips, DP; Gao, W; Yang, Y; Zhang, G; Lerario, IK; Lau, TL; Jiang, J; Wang, X; Nguyen, DG; Bhat, BG; Trotter, C; Sullivan, H; Welzel, G; Landry, J; Chen, Y; Joseph, SB; Li, C; Gordon, WP; Richmond, W; Johnson, K; Bretz, A; Bursulaya, B; Pan, S; McNamara, P; Seidel, HM Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists: structure-activity relationships, lead optimization, and chronic in vivo efficacy. J Med Chem57:3263-82 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| G-protein coupled bile acid receptor 1 |
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| Name: | G-protein coupled bile acid receptor 1 |
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| Synonyms: | BG37 | GPBAR1 | GPBAR_HUMAN | M-BAR | TGR5 | hBG37 | hGPCR19 |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 35260.02 |
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| Organism: | Homo sapiens (Human) |
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| Description: | CHO cells transiently transfected with hTGR5. |
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| Residue: | 330 |
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| Sequence: | MTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPAGCFFLSLLLA
GLLTGLALPTLPGLWNQSRRGYWSCLLVYLAPNFSFLSLLANLLLVHGERYMAVLRPLQP
PGSIRLALLLTWAGPLLFASLPALGWNHWTPGANCSSQAIFPAPYLYLEVYGLLLPAVGA
AAFLSVRVLATAHRQLQDICRLERAVCRDEPSALARALTWRQARAQAGAMLLFGLCWGPY
VATLLLSVLAYEQRPPLGPGTLLSLLSLGSASAAAVPVAMGLGDQRYTAPWRAAAQRCLQ
GLWGRASRDSPGPSIAYHPSSQSSVDLDLN
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| BDBM50003407 |
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| n/a |
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| Name | BDBM50003407 |
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| Synonyms: | CHEMBL3234568 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H30F3N7O |
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| Mol. Mass. | 501.5472 |
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| SMILES | CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r| |
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| Structure | 
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