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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Nuclear receptor ROR-gamma | ||
| Ligand | BDBM50519891 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1878648 (CHEMBL4380042) | ||
| IC50 | 8760±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 | ||
| Nuclear receptor ROR-gamma | |||
| Name: | Nuclear receptor ROR-gamma | ||
| Synonyms: | NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (RORC) | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RORG_HUMAN | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc) | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 58218.40 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P51449 | ||
| Residue: | 518 | ||
| Sequence: |
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| BDBM50519891 | |||
| n/a | |||
| Name | BDBM50519891 | ||
| Synonyms: | CHEMBL4452679 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H16ClF3N2O4 | ||
| Mol. Mass. | 500.854 | ||
| SMILES | OC(=O)c1ccc(CNC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(66.78,-52.93,;67.54,-51.6,;69.08,-51.59,;66.77,-50.26,;65.23,-50.27,;64.45,-48.94,;65.22,-47.61,;64.45,-46.28,;62.92,-46.28,;62.17,-47.6,;62.93,-48.92,;60.65,-47.6,;59.37,-48.52,;58.15,-47.59,;58.62,-46.13,;60.18,-46.14,;61.09,-44.89,;62.63,-45.05,;63.55,-43.8,;62.92,-42.4,;61.37,-42.22,;60.46,-43.47,;59.41,-50.06,;60.74,-50.81,;62.07,-50.02,;60.77,-52.34,;59.44,-53.14,;58.09,-52.38,;58.08,-50.84,;56.73,-50.09,;56.72,-48.56,;55.43,-50.86,;55.41,-49.32,;66.76,-47.59,;67.53,-48.92,)| | ||
| Structure | 
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