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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peroxisome proliferator-activated receptor alpha | ||
| Ligand | BDBM50508145 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1832145 (CHEMBL4332153) | ||
| IC50 | 216±n/a nM | ||
| Citation |  Jacintho, JD; Baccei, CS; Bravo, Y; Broadhead, A; Chen, A; Correa, L; Fischer, K; Laffitte, B; Lee, C; Lorrain, DS; Messmer, D; Prasit, P; Stebbins, KJ; Stock, NS Discovery of potent and selective PPAR?/? dual antagonists and initial biological studies. Bioorg Med Chem Lett29:503-508 (2019) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Peroxisome proliferator-activated receptor alpha | |||
| Name: | Peroxisome proliferator-activated receptor alpha | ||
| Synonyms: | NR1C1 | Nuclear receptor subfamily 1 group C member 1 | PPAR | PPAR alpha/gamma | PPAR-alpha | PPARA | PPARA_HUMAN | Peroxisome Proliferator-Activated Receptor alpha | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor alpha (PPAR alpha) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 52222.08 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q07869 | ||
| Residue: | 468 | ||
| Sequence: |
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| BDBM50508145 | |||
| n/a | |||
| Name | BDBM50508145 | ||
| Synonyms: | CHEMBL4450146 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H28F5N3O4 | ||
| Mol. Mass. | 637.5958 | ||
| SMILES | CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2c(F)cccc2F)cc1 |(24.36,-4.61,;23.03,-5.4,;21.69,-4.64,;20.36,-5.43,;19.01,-4.67,;17.69,-5.46,;17.71,-6.99,;19.05,-7.75,;20.38,-6.97,;21.72,-7.73,;21.73,-9.27,;20.41,-10.05,;23.07,-10.03,;16.39,-7.77,;16.4,-9.31,;15.07,-10.09,;13.73,-9.33,;12.41,-10.11,;11.07,-9.35,;9.74,-10.13,;8.4,-9.37,;7.92,-7.91,;6.38,-7.91,;5.6,-6.58,;6.36,-5.25,;5.58,-3.92,;4.04,-3.94,;3.28,-5.29,;4.07,-6.61,;3.26,-2.61,;4.01,-1.27,;1.72,-2.62,;2.47,-1.27,;5.91,-9.38,;4.45,-9.86,;7.16,-10.27,;7.17,-11.81,;8.51,-12.57,;9.84,-11.79,;8.51,-14.11,;7.17,-14.88,;5.84,-14.11,;5.84,-12.58,;4.5,-11.81,;13.72,-7.79,;15.04,-7.01,)| | ||
| Structure | 
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