Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50202094 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_423356 (CHEMBL909897) | ||
IC50 | 35±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: |
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BDBM50202094 | |||
n/a | |||
Name | BDBM50202094 | ||
Synonyms: | CHEMBL375341 | N-(5-hydroxy-adamantan-2-yl)-2-(3-trifluoromethyl-pyrrolidin-1-yl)-acetamide | ||
Type | Small organic molecule | ||
Emp. Form. | C17H25F3N2O2 | ||
Mol. Mass. | 346.3878 | ||
SMILES | O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,15.18,TLB:4:3:23:6.5.7,4:5:2.3.22:23,THB:7:5:2:22.21.23,7:21:2:6.4.5,8:7:2.3.22:23,(11.97,-27.52,;13.48,-28.24,;12.23,-29.46,;13.75,-29.11,;15.13,-29.73,;16.2,-28.5,;14.79,-28.79,;16.28,-26.98,;17.6,-26.18,;18.94,-26.93,;18.97,-28.47,;20.23,-26.07,;21.58,-26.81,;22.97,-26.15,;24.03,-27.27,;23.29,-28.62,;21.78,-28.33,;23.95,-30.01,;24.71,-31.34,;22.59,-30.72,;25.32,-29.31,;14.91,-26.34,;13.82,-27.52,;13.54,-26.75,)| | ||
Structure |