Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50202089 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_423354 (CHEMBL909895) | ||
Ki | 67±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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BDBM50202089 | |||
n/a | |||
Name | BDBM50202089 | ||
Synonyms: | CHEMBL373889 | N-[(Z)-5-hydroxy-2-adamantyl]-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}acetamide | ||
Type | Small organic molecule | ||
Emp. Form. | C22H29F3N4O2 | ||
Mol. Mass. | 438.4865 | ||
SMILES | O[C@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,1.0,TLB:6:1:29:4.5.7,8:7:2.1.30:29,0:1:29:4.5.7,THB:6:5:2.1.30:29,7:5:2:30.28.29,7:28:2:4.6.5,(-8.66,-21.61,;-8.65,-20.07,;-10.16,-20.47,;-8.95,-19.21,;-7.63,-19.71,;-6.23,-19.38,;-7.26,-20.65,;-6.2,-17.86,;-4.9,-17.02,;-3.53,-17.72,;-3.46,-19.26,;-2.24,-16.89,;-.87,-17.59,;-.84,-19.14,;.5,-19.88,;1.82,-19.08,;1.79,-17.54,;.44,-16.8,;3.14,-19.88,;3.11,-21.42,;4.42,-22.21,;5.77,-21.47,;5.8,-19.92,;4.48,-19.13,;7.09,-22.26,;8.42,-23.03,;6.31,-23.59,;7.88,-20.94,;-7.59,-17.26,;-8.94,-17.72,;-8.64,-18.49,)| | ||
Structure |