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Literature summary for 1.1.1.146 extracted from

  • Su, X.; Vicker, N.; Thomas, M.P.; Pradaux-Caggiano, F.; Halem, H.; Culler, M.D.; Potter, B.V.
    Discovery of adamantyl heterocyclic ketones as potent 11beta-hydroxysteroid dehydrogenase type 1 inhibitors (2011), ChemMedChem, 6, 1439-1451.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

Cloned (Comment) Organism
expression in HEK-293 cell Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone the triazole methyl group fits in a pocket formed by I121, T124 and Y183. The carbonyl group is predicted to form hydrogen bonds to residues Y183 and S170. The adamantyl group is predicted to fit tightly in a hydrophobic pocket formed by L171, Y177 and L217. Half-life in liver microsomes 68 min Homo sapiens
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-1-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone additionally inhibits cytochrome P450 enzyme 3A4-BFC with an IC50 value of 6.3 microM. Half-life in liver microsomes 34 min Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P28845
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000019
-
37°C, pH not specified in the publication, cellular assay Homo sapiens 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone
0.000031
-
37°C, pH not specified in the publication, cellular assay Homo sapiens 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-1-(tricyclo[3.3.1.13,7]dec-1-yl)ethanone