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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Nuclear receptor ROR-gamma | ||
| Ligand | BDBM50153657 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1561097 (CHEMBL3776821) | ||
| EC50 | 290±n/a nM | ||
| Citation |  Hirata, K; Kotoku, M; Seki, N; Maeba, T; Maeda, K; Hirashima, S; Sakai, T; Obika, S; Hori, A; Hase, Y; Yamaguchi, T; Katsuda, Y; Hata, T; Miyagawa, N; Arita, K; Nomura, Y; Asahina, K; Aratsu, Y; Kamada, M; Adachi, T; Noguchi, M; Doi, S; Crowe, P; Bradley, E; Steensma, R; Tao, H; Fenn, M; Babine, R; Li, X; Thacher, S; Hashimoto, H; Shiozaki, M SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR¿ Inhibitor. ACS Med Chem Lett7:23-7 (2016) [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 RZR-gamma | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C | RORG_MOUSE | Retinoid-related orphan receptor-gamma | Rorc | Rorg | TOR | Thor | Thymus orphan receptor | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 58133.31 | ||
| Organism: | Mus musculus | ||
| Description: | ChEMBL_103664 | ||
| Residue: | 516 | ||
| Sequence: |
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| BDBM50153657 | |||
| n/a | |||
| Name | BDBM50153657 | ||
| Synonyms: | CHEMBL3775607 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H41N5O | ||
| Mol. Mass. | 463.658 | ||
| SMILES | CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CCN(C)C[C@@H]2C(=O)Nc2ccc(C)cc2C)n1C1CC1 |r,wU:18.20,4.3,6.8,wD:12.12,(-12.25,.44,;-11.01,.47,;-10.37,-.59,;-10.27,1.82,;-8.74,1.85,;-7.67,2.96,;-6.62,1.89,;-7.63,.79,;-5.09,2.05,;-4.31,3.38,;-2.81,3.06,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.4,-1.39,;1.33,.77,;,1.54,;-0,3.08,;1.06,3.7,;-1.34,3.85,;-1.34,5.39,;-.01,6.16,;-.01,7.7,;-1.34,8.47,;-1.34,9.7,;-2.68,7.7,;-2.68,6.16,;-3.74,5.54,;-4.06,.91,;-4.37,-.6,;-4,-2.01,;-5.47,-1.56,)| | ||
| Structure | 
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