Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Peroxisome proliferator-activated receptor gamma | ||
| Ligand | BDBM50519886 | ||
| 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: |
| ||
| BDBM50519886 | |||
| n/a | |||
| Name | BDBM50519886 | ||
| Synonyms: | CHEMBL4587804 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H16ClF3N2O3 | ||
| Mol. Mass. | 472.844 | ||
| SMILES | OC(=O)c1ccc(CNc2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(66.19,-9.77,;65.87,-8.26,;67.02,-7.23,;64.41,-7.78,;63.26,-8.81,;61.8,-8.33,;61.49,-6.82,;60.03,-6.34,;58.88,-7.37,;57.42,-6.89,;56.17,-7.79,;54.93,-6.88,;55.39,-5.41,;56.95,-5.42,;57.85,-4.18,;59.39,-4.35,;60.29,-3.11,;59.67,-1.7,;58.14,-1.54,;57.23,-2.78,;56.19,-9.38,;57.56,-10.14,;58.92,-9.33,;57.58,-11.72,;56.22,-12.53,;54.84,-11.75,;54.83,-10.18,;53.49,-9.42,;53.47,-7.88,;52.16,-10.2,;52.15,-8.65,;62.63,-5.8,;64.09,-6.27,)| | ||
| Structure | 
| ||