Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50329300 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_675392 (CHEMBL1273472) | ||
IC50 | 5.8±n/a nM | ||
Citation | Tice, CM; Zhao, W; Krosky, PM; Kruk, BA; Berbaum, J; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Howard, L; Togias, J; Ye, YJ; Singh, SB; McKeever, BM; Lindblom, PR; Guo, J; Guo, R; Nar, H; Schuler-Metz, A; Gregg, RE; Leftheris, K; Harrison, RK; McGeehan, GM; Zhuang, L; Claremon, DA Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1. Bioorg Med Chem Lett20:6725-9 (2010) [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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BDBM50329300 | |||
n/a | |||
Name | BDBM50329300 | ||
Synonyms: | (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-hydroxymethyl-adamantan-2-yl ester | CHEMBL1270807 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H34N2O5 | ||
Mol. Mass. | 394.5051 | ||
SMILES | CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](CO)(C3)C2 |r,wU:8.7,16.16,wD:23.25,TLB:16:17:26:20.21.22,15:16:26.19.20:22,THB:18:19:22:27.17.16,18:17:26.19.20:22,16:21:26:27.18.17,(8,-43.38,;6.46,-43.35,;5.71,-42,;7.22,-42.01,;5.66,-44.67,;4.12,-44.65,;3.38,-43.3,;3.33,-45.97,;1.79,-45.94,;.91,-44.68,;-.56,-45.13,;-.59,-46.68,;.87,-47.17,;-1.93,-47.44,;-1.95,-48.98,;-3.26,-46.66,;-4.6,-47.41,;-4.61,-48.94,;-5.62,-50.22,;-7.03,-49.65,;-7.03,-48.07,;-5.99,-46.83,;-7.34,-47.31,;-7.33,-48.8,;-8.67,-48.02,;-10.02,-48.79,;-8.53,-50.07,;-6.01,-49.29,)| | ||
Structure |