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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50112147
Substrate
n/a
Meas. Tech.
ChEMBL_1512870 (CHEMBL3611792)
IC50
130±n/a nM
Citation
 Hong, SP; Nam, KY; Shin, YJ; Kim, KW; Ahn, SK Discovery of 11ß-hydroxysteroid dehydrogenase type 1 inhibitor. Bioorg Med Chem Lett 25:3501-6 (2015) [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:
BDBM50112147
Synonyms:
CHEMBL3609875
Type:
Small organic molecule
Emp. Form.:
C24H36N4O5S
Mol. Mass.:
492.631
SMILES:
CN(C)COc1ccc(cc1)S(=O)(=O)NC(C)(C)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:21.21,TLB:25:26:30:29.23.24,25:24:30:21.26.27,21:22:29:26.25.27,THB:20:21:30:29.23.24,21:26:29:30.23.22,(-18,-.79,;-17.03,-.03,;-17.21,1.19,;-15.6,-.6,;-14.39,.36,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-7.46,-.97,;-6.03,-1.55,;-7,-2.31,;-5.85,-2.77,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)|
Structure:
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