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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Nuclear receptor ROR-gamma | ||
| Ligand | BDBM50519892 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1878648 (CHEMBL4380042) | ||
| IC50 | >100000±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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| BDBM50519892 | |||
| n/a | |||
| Name | BDBM50519892 | ||
| Synonyms: | CHEMBL4514441 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H18ClF3N2O3 | ||
| Mol. Mass. | 522.902 | ||
| SMILES | OC(=O)c1ccc(NCc2c(noc2-c2cccc3ccccc23)-c2c(Cl)cccc2C(F)(F)F)cc1 |(43.87,-46.35,;42.71,-47.38,;43.02,-48.89,;41.25,-46.88,;40.08,-47.91,;38.62,-47.41,;38.32,-45.9,;36.85,-45.4,;35.69,-46.42,;34.23,-45.93,;32.97,-46.83,;31.72,-45.9,;32.2,-44.43,;33.77,-44.45,;34.68,-43.22,;36.21,-43.4,;37.13,-42.17,;36.52,-40.75,;34.98,-40.58,;34.37,-39.19,;32.86,-39.02,;31.95,-40.25,;32.57,-41.65,;34.07,-41.81,;32.95,-48.37,;34.27,-49.15,;35.61,-48.39,;34.26,-50.68,;32.91,-51.44,;31.59,-50.66,;31.61,-49.12,;30.28,-48.33,;30.3,-46.8,;28.94,-49.08,;28.95,-47.56,;39.47,-44.87,;40.94,-45.36,)| | ||
| Structure | 
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