Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50202096 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_423354 (CHEMBL909895) | ||
Ki | 46±n/a nM | ||
Citation | Rohde, JJ; Pliushchev, MA; Sorensen, BK; Wodka, D; Shuai, Q; Wang, J; Fung, S; Monzon, KM; Chiou, WJ; Pan, L; Deng, X; Chovan, LE; Ramaiya, A; Mullally, M; Henry, RF; Stolarik, DF; Imade, HM; Marsh, KC; Beno, DW; Fey, TA; Droz, BA; Brune, ME; Camp, HS; Sham, HL; Frevert, EU; Jacobson, PB; Link, JT Discovery and metabolic stabilization of potent and selective 2-amino-N-(adamant-2-yl) acetamide 11beta-hydroxysteroid dehydrogenase type 1 inhibitors. J Med Chem50:149-64 (2007) [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: |
| ||
BDBM50202096 | |||
n/a | |||
Name | BDBM50202096 | ||
Synonyms: | CHEMBL219494 | N-(5-fluoro-7-hydroxyadamantan-2-yl)-2-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]propionamide | ||
Type | Small organic molecule | ||
Emp. Form. | C23H30F4N4O2 | ||
Mol. Mass. | 470.5035 | ||
SMILES | CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](F)(C2)C3 |r,wU:21.22,29.32,wD:24.26,TLB:31:29:26:23.22.21,21:22:32:28.27.26,21:27:32:23.31.22,20:21:32.29.28:26,30:29:26:23.22.21,THB:31:22:32.29.28:26,(-2.15,-14.64,;-2.13,-16.18,;-.79,-16.93,;-.8,-18.48,;.53,-19.25,;1.87,-18.48,;1.87,-16.94,;.54,-16.16,;3.17,-19.31,;3.09,-20.85,;4.39,-21.67,;5.76,-20.96,;5.82,-19.41,;4.52,-18.6,;7.06,-21.79,;8.37,-22.59,;6.25,-23.09,;7.88,-20.48,;-3.45,-16.97,;-3.42,-18.51,;-4.79,-16.22,;-6.12,-17.02,;-6.19,-18.54,;-7.6,-18.83,;-8.91,-18.28,;-10.27,-17.67,;-8.85,-16.79,;-7.48,-16.38,;-8.58,-17.56,;-8.64,-19.15,;-8.71,-20.68,;-7.27,-19.77,;-10.16,-19.5,)| | ||
Structure |