Reaction Details | |||
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Target | Glucocorticoid receptor | ||
Ligand | BDBM50338734 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_726913 (CHEMBL1686702) | ||
Ki | 6.8±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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BDBM50338734 | |||
n/a | |||
Name | BDBM50338734 | ||
Synonyms: | (+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl benzylcarbamate | CHEMBL1684342 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H26ClF2N3O2 | ||
Mol. Mass. | 509.975 | ||
SMILES | C[C@@H]1[C@@H](OC(=O)NCc2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(22.89,-7.03,;22.89,-8.57,;24.23,-9.35,;25.56,-8.58,;26.89,-9.35,;26.89,-10.89,;28.23,-8.59,;29.56,-9.36,;30.9,-8.59,;32.22,-9.37,;33.56,-8.61,;33.56,-7.06,;32.22,-6.29,;30.89,-7.06,;24.22,-10.89,;25.76,-10.89,;24.21,-12.43,;22.88,-11.66,;21.55,-10.89,;20.22,-11.66,;18.89,-10.89,;17.55,-11.66,;18.89,-9.35,;20.22,-8.58,;20.21,-7.04,;21.55,-9.34,;17.56,-8.58,;17.56,-7.04,;16.23,-6.27,;14.89,-7.04,;14.9,-8.6,;13.77,-9.63,;12.26,-9.32,;14.41,-11.02,;15.93,-10.85,;16.23,-9.35,)| | ||
Structure |