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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Nuclear receptor ROR-gamma | ||
| Ligand | BDBM50519890 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1878648 (CHEMBL4380042) | ||
| IC50 | 73900±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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| BDBM50519890 | |||
| n/a | |||
| Name | BDBM50519890 | ||
| Synonyms: | CHEMBL4452409 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H14ClF3N2O4 | ||
| Mol. Mass. | 486.827 | ||
| SMILES | OC(=O)c1cccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)c1 |(17.09,-50.46,;17.85,-49.12,;19.39,-49.12,;17.08,-47.8,;17.84,-46.47,;17.07,-45.15,;15.55,-45.15,;14.8,-46.48,;13.27,-46.48,;12.52,-47.8,;13.28,-49.12,;10.99,-47.81,;9.73,-48.7,;8.49,-47.78,;8.96,-46.31,;10.52,-46.33,;11.46,-45.08,;12.99,-45.26,;13.91,-44.02,;13.29,-42.58,;11.74,-42.42,;10.82,-43.66,;9.75,-50.24,;11.09,-51,;12.42,-50.21,;11.11,-52.54,;9.78,-53.33,;8.44,-52.58,;8.42,-51.03,;7.09,-50.28,;7.07,-48.75,;5.77,-51.06,;5.75,-49.52,;15.56,-47.8,)| | ||
| Structure | 
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