Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50445568 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1285730 (CHEMBL3107719) | ||
IC50 | 8.0±n/a nM | ||
Citation | Ye, XY; Yoon, D; Chen, SY; Nayeem, A; Golla, R; Seethala, R; Wang, M; Harper, T; Sleczka, BG; Apedo, A; Li, YX; He, B; Kirby, M; Gordon, DA; Robl, JA Synthesis and structure-activity relationship of 2-adamantylmethyl tetrazoles as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1). Bioorg Med Chem Lett24:654-60 (2014) [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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BDBM50445568 | |||
n/a | |||
Name | BDBM50445568 | ||
Synonyms: | CHEMBL3103438 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H26N4O | ||
Mol. Mass. | 386.4894 | ||
SMILES | OC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:15:14:6:4.3.2,17:7:4.15.3:16.1.6,17:7:6:4.3.2,0:1:7:4.15.3,THB:15:3:7.14.16:6,2:3:7:16.1.6,2:1:7:4.15.3,8:7:4.15.3:16.1.6,8:7:6:4.3.2,(41.37,2.14,;41.38,.6,;42.79,.02,;42.77,-1.52,;41.37,-1.87,;40.05,-1.38,;40.04,.11,;38.85,-2.66,;37.51,-1.86,;36.16,-2.61,;34.68,-2.18,;33.82,-3.46,;34.77,-4.68,;36.22,-4.15,;40.35,-2.24,;41.76,-2.8,;40.34,-.65,;38.84,-4.2,;37.5,-4.95,;37.49,-6.49,;38.82,-7.26,;40.16,-6.5,;40.16,-4.96,;38.81,-8.8,;37.47,-9.57,;37.46,-11.11,;38.79,-11.89,;40.14,-11.12,;40.14,-9.58,)| | ||
Structure |