Reaction Details | |||
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Target | Glucocorticoid receptor | ||
Ligand | BDBM50338735 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_726913 (CHEMBL1686702) | ||
Ki | 7.8±n/a nM | ||
Citation | Roach, SL; Higuchi, RI; Hudson, AR; Vassar, A; Grant, VH; Lamer, R; Hooper, C; Rungta, D; Syka, PM; Mais, DE; Marschke, KB; Zhi, L Tetrahydroquinolin-3-yl carbamate glucocorticoid receptor agonists with reduced PEPCK activation. Bioorg Med Chem Lett21:1658-62 (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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BDBM50338735 | |||
n/a | |||
Name | BDBM50338735 | ||
Synonyms: | (+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl isopropylcarbamate | CHEMBL1684343 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H26ClF2N3O2 | ||
Mol. Mass. | 461.932 | ||
SMILES | CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2c(Cl)c[nH]c12 |r,wU:7.6,wD:8.8,(8.71,-22.74,;7.37,-23.51,;7.37,-25.05,;6.04,-22.73,;4.7,-23.5,;4.7,-25.04,;3.37,-22.73,;2.04,-23.49,;.7,-22.71,;.7,-21.17,;-.64,-23.49,;-.64,-25.04,;.69,-25.81,;2.03,-25.04,;3.57,-25.04,;2.02,-26.58,;-1.97,-25.81,;-3.3,-25.04,;-4.64,-25.81,;-3.3,-23.5,;-1.97,-22.73,;-1.98,-21.19,;-4.63,-22.73,;-4.63,-21.19,;-5.96,-20.42,;-7.3,-21.19,;-7.29,-22.74,;-8.42,-23.78,;-9.93,-23.47,;-7.78,-25.17,;-6.26,-25,;-5.96,-23.5,)| | ||
Structure |