Reaction Details | |||
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Target | Nuclear receptor ROR-gamma | ||
Ligand | BDBM50553581 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2046877 (CHEMBL4701576) | ||
EC50 | 33±n/a nM | ||
Citation | Shi, Q; Xiao, Z; Yang, MG; Marcoux, D; Cherney, RJ; Yip, S; Li, P; Wu, DR; Weigelt, CA; Sack, J; Khan, J; Ruzanov, M; Wang, J; Yarde, M; Ellen Cvijic, M; Li, S; Shuster, DJ; Xie, J; Sherry, T; Obermeier, M; Fura, A; Stefanski, K; Cornelius, G; Chacko, S; Shu, YZ; Khandelwal, P; Hynes, J; Tino, JA; Salter-Cid, L; Denton, R; Zhao, Q; Dhar, TGM Tricyclic sulfones as potent, selective and efficacious ROR?t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg Med Chem Lett30:0 (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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BDBM50553581 | |||
n/a | |||
Name | BDBM50553581 | ||
Synonyms: | CHEMBL4759786 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H26BrF8NO5S | ||
Mol. Mass. | 732.477 | ||
SMILES | [H][C@@]12CCc3cc(c(Br)cc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:17.19,wD:20.26,11.29,1.0,(81.03,-6.64,;79.7,-7.42,;79.71,-5.87,;78.36,-5.09,;77.02,-5.86,;75.68,-5.1,;74.36,-5.87,;74.35,-7.42,;73.02,-8.19,;75.69,-8.19,;77.02,-7.42,;78.37,-8.2,;78.69,-9.71,;80.22,-9.87,;80.85,-8.46,;82.36,-8.14,;82.84,-6.67,;83.39,-9.28,;84.89,-8.95,;85.92,-10.11,;85.44,-11.57,;83.93,-11.88,;82.91,-10.74,;86.47,-12.72,;87.97,-12.41,;85.99,-14.18,;77.27,-9.28,;76.17,-10.37,;75.78,-8.87,;77.65,-10.77,;76.56,-11.84,;76.94,-13.33,;78.43,-13.75,;78.82,-15.24,;79.53,-12.66,;79.14,-11.17,;73.02,-5.1,;71.68,-4.33,;73.02,-3.56,;71.69,-2.79,;74.36,-2.79,;73.01,-2.02,;71.69,-5.87,;70.36,-5.1,;71.69,-7.41,;70.35,-6.63,)| | ||
Structure |