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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Nuclear receptor ROR-gamma | ||
| Ligand | BDBM50519885 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1878648 (CHEMBL4380042) | ||
| IC50 | 1090±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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| BDBM50519885 | |||
| n/a | |||
| Name | BDBM50519885 | ||
| Synonyms: | CHEMBL4469931 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H14ClF3N2O4 | ||
| Mol. Mass. | 462.806 | ||
| SMILES | OC(=O)c1ccc(NCc2c(noc2-c2ccco2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(42.15,-26.31,;40.99,-27.34,;41.3,-28.85,;39.53,-26.84,;38.36,-27.87,;36.9,-27.38,;36.6,-25.86,;35.14,-25.36,;33.98,-26.39,;32.51,-25.9,;31.26,-26.79,;30.01,-25.87,;30.49,-24.4,;32.05,-24.41,;32.97,-23.18,;34.5,-23.2,;34.99,-21.74,;33.76,-20.82,;32.51,-21.71,;31.24,-28.33,;32.56,-29.1,;33.9,-28.35,;32.55,-30.64,;31.2,-31.4,;29.88,-30.62,;29.89,-29.08,;28.57,-28.29,;28.59,-26.76,;27.23,-29.04,;27.24,-27.52,;37.75,-24.84,;39.22,-25.32,)| | ||
| Structure | 
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