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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50329295
Substrate
n/a
Meas. Tech.
ChEMBL_675393 (CHEMBL1273473)
IC50
24.7±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 Lett 20:6725-9 (2010) [PubMed]  Article 
Target
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:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
  
Inhibitor
Name:
BDBM50329295
Synonyms:
(R)-3-(tert-Butoxycarbonyl-methyl-amino)-pyrrolidine-1-carboxylic acid adamantan-2-yl ester | CHEMBL1270503
Type:
Small organic molecule
Emp. Form.:
C21H34N2O4
Mol. Mass.:
378.5057
SMILES:
CN([C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C |r,wU:2.1,TLB:16:15:19:12.11.10,16:11:14.15.17:19,THB:10:11:14:17.18.19,10:18:14:12.16.11,9:10:14.15.17:19,(2.39,-29.14,;1.64,-27.79,;.1,-27.77,;-.79,-26.51,;-2.26,-26.96,;-2.29,-28.5,;-.83,-29,;-3.63,-29.26,;-3.64,-30.8,;-4.95,-28.48,;-6.29,-29.24,;-6.31,-30.76,;-7.7,-31.11,;-9.03,-30.62,;-10.23,-31.9,;-8.72,-31.48,;-7.32,-32.04,;-8.73,-29.89,;-7.69,-28.66,;-9.04,-29.14,;2.43,-26.47,;1.68,-25.12,;3.97,-26.49,;4.76,-25.17,;6.3,-25.2,;4.01,-23.83,;5.52,-23.83,)|
Structure:
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