Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase type 2 | ||
Ligand | BDBM50195286 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_424849 (CHEMBL907399) | ||
IC50 | 14000±n/a nM | ||
Citation | Sorensen, B; Rohde, J; Wang, J; Fung, S; Monzon, K; Chiou, W; Pan, L; Deng, X; Stolarik, D; Frevert, EU; Jacobson, P; Link, JT Adamantane 11-beta-HSD-1 inhibitors: Application of an isocyanide multicomponent reaction. Bioorg Med Chem Lett16:5958-62 (2006) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
11-beta-hydroxysteroid dehydrogenase type 2 | |||
Name: | 11-beta-hydroxysteroid dehydrogenase type 2 | ||
Synonyms: | 11-DH2 | 11-beta-HSD2 | 11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) | 11-beta-hydroxysteroid dehydrogenase type 2 | Corticosteroid 11-beta-dehydrogenase isozyme 2 | DHI2_MOUSE | Hsd11b2 | Hsd11k | NAD-dependent 11-beta-hydroxysteroid dehydrogenase | ||
Type: | Enzyme | ||
Mol. Mass.: | 42201.46 | ||
Organism: | Mus musculus (mouse) | ||
Description: | Purified recombinant mouse 11beta-HSD2. | ||
Residue: | 386 | ||
Sequence: |
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BDBM50195286 | |||
n/a | |||
Name | BDBM50195286 | ||
Synonyms: | 4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclopentanecarbonyl}-amino)-adamantane-1-carboxylic acid amide | CHEMBL373792 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H36F3N5O2 | ||
Mol. Mass. | 519.6022 | ||
SMILES | NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-7.41,-1.52,;-6.63,-.19,;-7.39,1.14,;-5.09,-.2,;-6.29,-1.48,;-4.79,-1.06,;-3.38,-1.62,;-2.37,-.35,;-3.76,-.69,;-2.36,1.18,;-1.07,2.03,;.3,1.35,;.4,-.19,;1.58,2.21,;2.67,3.3,;1.97,4.67,;.44,4.43,;.21,2.9,;2.96,1.52,;3.05,-.01,;4.43,-.7,;5.71,.15,;5.62,1.69,;4.24,2.38,;7.09,-.54,;7.17,-2.07,;8.55,-2.76,;9.84,-1.92,;9.74,-.37,;8.36,.31,;11.21,-2.6,;12.54,-3.37,;10.43,-3.92,;11.97,-1.26,;-3.75,1.76,;-4.79,.53,;-5.1,1.28,)| | ||
Structure |