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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Nuclear receptor ROR-gamma | ||
| Ligand | BDBM50519878 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1878648 (CHEMBL4380042) | ||
| IC50 | 9600±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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| BDBM50519878 | |||
| n/a | |||
| Name | BDBM50519878 | ||
| Synonyms: | CHEMBL4550831 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H16ClF3N2O3 | ||
| Mol. Mass. | 472.844 | ||
| SMILES | OC(=O)c1ccc(NCc2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(17.9,-10.08,;17.57,-8.58,;18.7,-7.54,;16.1,-8.11,;14.96,-9.15,;13.5,-8.68,;13.17,-7.18,;11.71,-6.71,;10.57,-7.75,;9.11,-7.28,;7.86,-8.2,;6.61,-7.29,;7.07,-5.82,;8.62,-5.81,;9.51,-4.57,;11.05,-4.73,;11.94,-3.48,;11.31,-2.07,;9.77,-1.93,;8.88,-3.17,;7.88,-9.78,;9.25,-10.55,;10.61,-9.73,;9.28,-12.12,;7.92,-12.93,;6.54,-12.16,;6.52,-10.58,;5.15,-9.81,;5.13,-8.27,;3.83,-10.59,;3.81,-9.03,;14.3,-6.14,;15.77,-6.6,)| | ||
| Structure | 
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