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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50329292
Substrate
n/a
Meas. Tech.
ChEMBL_675392 (CHEMBL1273472)
IC50
2±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:
BDBM50329292
Synonyms:
(R)-3-Isobutoxycarbonylamino-pyrrolidine-1-carboxylic acid adamantan-2-yl ester | CHEMBL1270408
Type:
Small organic molecule
Emp. Form.:
C20H32N2O4
Mol. Mass.:
364.4791
SMILES:
CC(C)COC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:8.7,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(5.77,-14.44,;4.98,-15.76,;5.73,-17.11,;3.44,-15.74,;2.65,-17.06,;1.11,-17.04,;.36,-15.69,;.32,-18.36,;-1.22,-18.33,;-2.11,-17.07,;-3.58,-17.52,;-3.61,-19.07,;-2.15,-19.56,;-4.95,-19.83,;-4.96,-21.37,;-6.28,-19.04,;-7.62,-19.8,;-7.63,-21.33,;-9.02,-21.68,;-10.35,-21.19,;-11.55,-22.46,;-10.05,-22.04,;-8.64,-22.61,;-10.05,-20.46,;-9.01,-19.22,;-10.36,-19.7,)|
Structure:
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