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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peroxisome proliferator-activated receptor delta | ||
| Ligand | BDBM50508158 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1832146 (CHEMBL4332154) | ||
| IC50 | 83±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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| BDBM50508158 | |||
| n/a | |||
| Name | BDBM50508158 | ||
| Synonyms: | CHEMBL4474275 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H32F3N3O5 | ||
| Mol. Mass. | 631.6409 | ||
| SMILES | CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2OC)cc1 |(24.22,-19.3,;22.89,-20.08,;21.55,-19.33,;20.22,-20.11,;18.87,-19.36,;17.55,-20.14,;17.57,-21.67,;18.91,-22.44,;20.24,-21.65,;21.58,-22.41,;21.59,-23.95,;20.27,-24.73,;22.93,-24.71,;16.25,-22.45,;16.26,-23.99,;14.93,-24.77,;13.59,-24.01,;12.27,-24.79,;10.93,-24.03,;9.6,-24.81,;8.26,-24.06,;7.78,-22.59,;6.24,-22.6,;5.46,-21.27,;6.22,-19.93,;5.44,-18.61,;3.9,-18.62,;3.14,-19.97,;3.93,-21.29,;3.12,-17.29,;3.87,-15.95,;1.58,-17.31,;2.33,-15.95,;5.77,-24.06,;4.31,-24.55,;7.02,-24.96,;7.03,-26.5,;5.7,-27.26,;5.7,-28.8,;7.03,-29.57,;8.37,-28.8,;8.37,-27.25,;9.7,-26.48,;11.04,-27.24,;13.58,-22.48,;14.9,-21.69,)| | ||
| Structure | 
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