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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50448237
Substrate
n/a
Meas. Tech.
ChEMBL_1293356 (CHEMBL3122299)
IC50
70±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:
BDBM50448237
Synonyms:
CHEMBL3120755
Type:
Small organic molecule
Emp. Form.:
C22H31ClN2O4S
Mol. Mass.:
455.011
SMILES:
Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.19,wD:26.28,TLB:29:26:23:21.20.19,18:19:23:25.28.26,27:26:23:21.20.19,27:26:23.22.21:19,THB:28:22:19:25.26.29,28:26:23.22.21:19,29:20:23:25.28.26,(61.35,-6.19,;61.35,-4.65,;60.01,-3.88,;58.68,-4.65,;60.01,-2.33,;61.34,-1.56,;62.68,-2.33,;62.68,-3.88,;64.02,-4.65,;63.25,-5.98,;64.79,-5.98,;65.35,-3.87,;66.69,-4.64,;67.46,-5.97,;66.28,-6.12,;68.02,-3.87,;69.35,-4.64,;69.36,-6.18,;70.69,-3.86,;71.95,-4.74,;73.3,-4.26,;72.26,-5.5,;72.28,-7.08,;70.78,-7.51,;71.97,-6.23,;73.3,-6.71,;74.69,-6.36,;76.23,-6.29,;73.68,-7.64,;74.69,-4.83,)|
Structure:
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