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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448221
Substrate
n/a
Meas. Tech.
ChEMBL_1293356 (CHEMBL3122299)
IC50
24±n/a nM
Citation
 Lee, Y; Shin, YJ; Ahn, SK 3-Amino-N-adamantyl-3-methylbutanamide derivatives as 11ß-hydroxysteroid dehydrogenase 1 inhibitor. Bioorg Med Chem Lett 24:1421-5 (2014) [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 1 | 11beta-HSD1A | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_MOUSE | Hsd11 | Hsd11b1
Type:
Enzyme
Mol. Mass.:
32369.70
Organism:
Mus musculus (mouse)
Description:
P50172
Residue:
292
Sequence:
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
  
Inhibitor
Name:
BDBM50448221
Synonyms:
CHEMBL3120828
Type:
Small organic molecule
Emp. Form.:
C22H30FN3O4S
Mol. Mass.:
451.555
SMILES:
CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1ccc(F)cc1 |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(16.74,-56.49,;15.96,-55.16,;15.56,-56.64,;17.3,-54.38,;18.63,-55.15,;18.63,-56.69,;19.96,-54.38,;21.23,-55.26,;22.57,-54.77,;21.54,-56.01,;21.55,-57.6,;20.05,-58.02,;21.24,-56.74,;22.58,-57.22,;23.97,-56.87,;22.96,-58.15,;23.97,-55.34,;25.29,-57.66,;26.63,-56.9,;25.28,-59.2,;14.63,-54.39,;13.3,-55.16,;12.53,-56.49,;14.07,-56.49,;11.96,-54.39,;10.62,-55.16,;9.29,-54.39,;9.29,-52.85,;7.96,-52.08,;10.62,-52.08,;11.96,-52.84,)|
Structure:
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