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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peroxisome proliferator-activated receptor alpha | ||
| Ligand | BDBM50508154 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1832145 (CHEMBL4332153) | ||
| IC50 | 200±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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| BDBM50508154 | |||
| n/a | |||
| Name | BDBM50508154 | ||
| Synonyms: | CHEMBL4582294 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H40FN3O4 | ||
| Mol. Mass. | 621.7403 | ||
| SMILES | CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(Cc3ccc(cc3)C(C)(C)C)c(=O)n2-c2ccccc2F)cc1 |(75.79,-18.47,;74.47,-19.26,;73.12,-18.5,;71.8,-19.29,;70.45,-18.53,;69.13,-19.32,;69.15,-20.84,;70.49,-21.61,;71.81,-20.83,;73.15,-21.59,;73.17,-23.13,;71.84,-23.91,;74.51,-23.89,;67.82,-21.63,;67.83,-23.17,;66.51,-23.95,;65.17,-23.19,;63.84,-23.97,;62.5,-23.21,;61.17,-23.99,;59.83,-23.23,;59.35,-21.77,;57.81,-21.77,;56.9,-20.53,;57.68,-19.2,;59.22,-19.22,;60,-17.89,;59.24,-16.55,;57.69,-16.54,;56.92,-17.87,;60.01,-15.22,;61.55,-15.23,;59.25,-13.88,;60.78,-13.88,;57.34,-23.24,;55.88,-23.72,;58.6,-24.13,;58.6,-25.67,;59.94,-26.44,;59.94,-27.99,;58.61,-28.76,;57.27,-27.99,;57.27,-26.44,;55.94,-25.67,;65.15,-21.65,;66.47,-20.87,)| | ||
| Structure | 
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