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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peroxisome proliferator-activated receptor delta | ||
| Ligand | BDBM50508150 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1832146 (CHEMBL4332154) | ||
| IC50 | 79±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 delta | |||
| Name: | Peroxisome proliferator-activated receptor delta | ||
| Synonyms: | NR1C2 | NUC1 | NUCI | Nuclear hormone receptor 1 | Nuclear receptor subfamily 1 group C member 2 | PPAR delta | PPAR-beta | PPARB | PPARD | PPARD_HUMAN | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor beta | Peroxisome proliferator-activated receptor delta | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 49910.45 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q03181 | ||
| Residue: | 441 | ||
| Sequence: |
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| BDBM50508150 | |||
| n/a | |||
| Name | BDBM50508150 | ||
| Synonyms: | CHEMBL4547480 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H32FN3O4S | ||
| Mol. Mass. | 597.699 | ||
| SMILES | CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(SC)cc3)c(=O)n2-c2ccccc2F)cc1 |(24.92,-17.53,;23.59,-18.32,;22.25,-17.56,;20.92,-18.35,;19.57,-17.59,;18.25,-18.38,;18.27,-19.9,;19.61,-20.67,;20.94,-19.89,;22.28,-20.65,;22.29,-22.19,;20.97,-22.97,;23.63,-22.94,;16.95,-20.69,;16.96,-22.23,;15.63,-23.01,;14.29,-22.25,;12.97,-23.03,;11.63,-22.27,;10.3,-23.05,;8.96,-22.29,;8.48,-20.83,;6.94,-20.83,;6.16,-19.5,;6.92,-18.17,;6.14,-16.84,;4.6,-16.85,;3.82,-15.53,;4.57,-14.19,;3.84,-18.2,;4.63,-19.52,;6.47,-22.3,;5.01,-22.78,;7.72,-23.19,;7.73,-24.73,;9.06,-25.5,;9.07,-27.05,;7.73,-27.82,;6.4,-27.05,;6.4,-25.5,;5.06,-24.73,;14.28,-20.71,;15.6,-19.93,)| | ||
| Structure | 
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