Reaction Details | |||
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Target | Glucocorticoid receptor | ||
Ligand | BDBM50338304 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_728108 (CHEMBL1687050) | ||
Ki | 5±n/a nM | ||
Citation | Hudson, AR; Higuchi, RI; Roach, SL; Adams, ME; Vassar, A; Syka, PM; Mais, DE; Miner, JN; Marschke, KB; Zhi, L Discovery of orally available tetrahydroquinoline-based glucocorticoid receptor agonists. Bioorg Med Chem Lett21:1697-700 (2011) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Glucocorticoid receptor | |||
Name: | Glucocorticoid receptor | ||
Synonyms: | GCR_HUMAN | GR | GRL | Glucocorticoid | Glucocorticoid receptor (GRFP) | NR3C1 | Nuclear receptor subfamily 3 group C member 1 | ||
Type: | Enzyme | ||
Mol. Mass.: | 85656.87 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P04150 | ||
Residue: | 777 | ||
Sequence: |
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BDBM50338304 | |||
n/a | |||
Name | BDBM50338304 | ||
Synonyms: | (+/-)-(3R,4S)-5,7,8-trifluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-ol | CHEMBL1682438 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H19F3N2O | ||
Mol. Mass. | 360.3729 | ||
SMILES | C[C@@H]1[C@@H](O)C(C)(C)Nc2c(F)c(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(12.83,-9.68,;12.84,-11.23,;14.17,-12.02,;15.51,-11.27,;14.15,-13.57,;14.13,-15.1,;15.68,-13.56,;12.8,-14.31,;11.48,-13.53,;10.14,-14.29,;10.12,-15.83,;8.81,-13.5,;7.47,-14.25,;8.84,-11.96,;10.18,-11.21,;10.19,-9.66,;11.5,-11.99,;7.52,-11.17,;6.18,-11.92,;4.85,-11.13,;4.88,-9.59,;6.21,-8.85,;6.55,-7.34,;8.09,-7.2,;8.7,-8.62,;7.54,-9.63,)| | ||
Structure |