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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Glucocorticoid receptor | ||
| Ligand | BDBM50338725 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_726917 (CHEMBL1686706) | ||
| IC50 | 8.1±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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| BDBM50338725 | |||
| n/a | |||
| Name | BDBM50338725 | ||
| Synonyms: | (3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl 4-cyanophenylcarbamate | CHEMBL1684353 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H23ClF2N4O2 | ||
| Mol. Mass. | 520.958 | ||
| SMILES | C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C#N)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(1.05,-15.65,;1.05,-17.19,;2.39,-17.96,;3.72,-17.2,;5.05,-17.97,;5.05,-19.51,;6.39,-17.2,;7.72,-17.98,;7.71,-19.52,;9.05,-20.29,;10.38,-19.52,;10.38,-17.98,;9.05,-17.21,;11.72,-20.3,;13.05,-21.07,;2.38,-19.51,;3.92,-19.51,;2.37,-21.05,;1.04,-20.28,;-.29,-19.51,;-1.62,-20.28,;-2.95,-19.51,;-4.29,-20.28,;-2.95,-17.97,;-1.62,-17.2,;-1.63,-15.66,;-.29,-17.96,;-4.28,-17.2,;-4.28,-15.66,;-5.61,-14.89,;-6.95,-15.66,;-6.94,-17.21,;-8.07,-18.25,;-9.58,-17.94,;-7.43,-19.64,;-5.91,-19.47,;-5.61,-17.97,)| | ||
| Structure | 
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