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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peroxisome proliferator-activated receptor gamma | ||
| Ligand | BDBM50519880 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1878653 (CHEMBL4380047) | ||
| IC50 | >50000±n/a nM | ||
| Citation |  Meijer, FA; Doveston, RG; de Vries, RMJM; Vos, GM; Vos, AAA; Leysen, S; Scheepstra, M; Ottmann, C; Milroy, LG; Brunsveld, L Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor ?t (ROR?t) Inverse Agonists. J Med Chem63:241-259 (2020) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Peroxisome proliferator-activated receptor gamma | |||
| Name: | Peroxisome proliferator-activated receptor gamma | ||
| Synonyms: | NR1C3 | Nuclear receptor subfamily 1 group C member 3 | PPAR-gamma | PPARG | PPARG_HUMAN | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor gamma (PPAR gamma) | Peroxisome proliferator-activated receptor gamma (PPARG) | Peroxisome proliferator-activated receptor gamma (PPARĪ³) | Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | peroxisome proliferator-activated receptor gamma isoform 2 | ||
| Type: | Nuclear Receptor | ||
| Mol. Mass.: | 57613.46 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P37231 | ||
| Residue: | 505 | ||
| Sequence: |
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| BDBM50519880 | |||
| n/a | |||
| Name | BDBM50519880 | ||
| Synonyms: | CHEMBL4518713 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H12ClF3N2O4 | ||
| Mol. Mass. | 424.758 | ||
| SMILES | Cc1onc(c1C(=O)Nc1ccc(cc1)C(O)=O)-c1c(Cl)cccc1C(F)(F)F |(46.52,-5.01,;45.65,-6.29,;44.1,-6.33,;43.68,-7.8,;44.95,-8.67,;46.17,-7.74,;47.7,-7.74,;48.47,-9.07,;48.47,-6.4,;50.01,-6.4,;50.78,-7.74,;52.32,-7.74,;53.09,-6.4,;52.31,-5.06,;50.77,-5.07,;54.63,-6.39,;55.4,-7.73,;55.39,-5.06,;44.97,-10.22,;46.32,-10.94,;47.63,-10.13,;46.37,-12.48,;45.04,-13.29,;43.69,-12.55,;43.65,-11.01,;42.31,-10.27,;42.28,-8.73,;40.99,-11.07,;40.96,-9.5,)| | ||
| Structure | 
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