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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peroxisome proliferator-activated receptor alpha | ||
| Ligand | BDBM50508153 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1832145 (CHEMBL4332153) | ||
| IC50 | 18±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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| BDBM50508153 | |||
| n/a | |||
| Name | BDBM50508153 | ||
| Synonyms: | CHEMBL4549922 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H29F4N3O5 | ||
| Mol. Mass. | 635.6048 | ||
| SMILES | CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(OC(F)(F)F)cc3)c(=O)n2-c2ccccc2F)cc1 |(80.09,-3.25,;78.76,-4.04,;77.42,-3.28,;76.09,-4.07,;74.74,-3.31,;73.42,-4.1,;73.44,-5.62,;74.78,-6.39,;76.11,-5.61,;77.45,-6.37,;77.46,-7.91,;76.14,-8.69,;78.8,-8.66,;72.12,-6.41,;72.13,-7.95,;70.8,-8.73,;69.46,-7.97,;68.14,-8.75,;66.8,-7.99,;65.47,-8.77,;64.13,-8.01,;63.65,-6.55,;62.11,-6.55,;61.33,-5.22,;62.09,-3.89,;61.31,-2.56,;59.77,-2.57,;58.99,-1.25,;57.45,-1.26,;56.66,.08,;56.69,-2.6,;55.9,-1.25,;59.01,-3.92,;59.8,-5.24,;61.64,-8.02,;60.18,-8.5,;62.89,-8.91,;62.9,-10.45,;64.23,-11.22,;64.24,-12.77,;62.9,-13.54,;61.57,-12.77,;61.57,-11.22,;60.23,-10.45,;69.45,-6.43,;70.77,-5.65,)| | ||
| Structure | 
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