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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50112139
Substrate
n/a
Meas. Tech.
ChEMBL_1512870 (CHEMBL3611792)
IC50
>1000±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:
BDBM50112139
Synonyms:
CHEMBL3609867
Type:
Small organic molecule
Emp. Form.:
C20H26FN3O4S
Mol. Mass.:
423.502
SMILES:
NC(=O)C12CC3CC(C1)[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:9.10,TLB:10:9:27:3.4.28,8:3:27:9.7.6,THB:1:3:27:9.7.6,9:26:4:8.7.6,9:7:4:27.28.26,8:7:27:3.4.28,(3.79,.16,;3.07,1.16,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-7.46,-.97,;-8.67,-1.93,;-10.1,-1.35,;-10.28,-.14,;-9.13,-.59,;-11.31,-2.31,;-12.74,-1.73,;-13.95,-2.69,;-13.73,-4.21,;-12.3,-4.78,;-11.09,-3.83,;-9.95,-4.29,;-1.2,1.02,;-1.2,2.69,;.34,.44,)|
Structure:
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