Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50334677 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_699052 (CHEMBL1646333) | ||
IC50 | 1.3±n/a nM | ||
Citation | Sun, D; Wang, Z; Caille, S; DeGraffenreid, M; Gonzalez-Lopez de Turiso, F; Hungate, R; Jaen, JC; Jiang, B; Julian, LD; Kelly, R; McMinn, DL; Kaizerman, J; Rew, Y; Sudom, A; Tu, H; Ursu, S; Walker, N; Willcockson, M; Yan, X; Ye, Q; Powers, JP Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11ß-HSD1 inhibitors. Bioorg Med Chem Lett21:405-10 (2010) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
11-beta-hydroxysteroid dehydrogenase 1 | |||
Name: | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Synonyms: | 11-DH | 11-beta-HSD1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | 11-beta-hydroxysteroid dehydrogenase | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1) | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1 | ||
Type: | Enzyme | ||
Mol. Mass.: | 32409.16 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P28845 | ||
Residue: | 292 | ||
Sequence: |
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BDBM50334677 | |||
n/a | |||
Name | BDBM50334677 | ||
Synonyms: | CHEMBL1642597 | N-((4S)-4-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide | ||
Type | Small organic molecule | ||
Emp. Form. | C28H32F4N2O3 | ||
Mol. Mass. | 520.5589 | ||
SMILES | C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(24.79,-23.04,;26.12,-22.26,;24.63,-21.87,;27.46,-23.03,;28.79,-22.25,;30.13,-23.02,;30.12,-24.56,;28.8,-25.34,;27.47,-24.58,;31.46,-25.33,;31.47,-26.87,;32.79,-24.55,;32.79,-23.01,;33.56,-21.68,;32.02,-21.68,;34.13,-25.32,;35.46,-24.54,;36.79,-25.32,;36.79,-26.86,;38.12,-26.08,;39.46,-26.84,;40.79,-26.06,;42.13,-26.82,;40.78,-24.52,;35.46,-27.62,;34.13,-26.86,;37.55,-28.19,;39.07,-28.2,;39.83,-29.52,;39.06,-30.85,;37.53,-30.84,;36.77,-29.51,;35.23,-29.5,;26.11,-20.72,;27.44,-19.94,;24.77,-19.96,;25.71,-19.23,)| | ||
Structure |