Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50382818
Substrate
n/a
Meas. Tech.
ChEMBL_815021 (CHEMBL2027167)
EC50
69±n/a nM
Citation
 Zhang, L; Chen, J; Ning, M; Zou, Q; Leng, Y; Shen, J Synthesis and evaluation of piperidine urea derivatives as efficacious 11ß-hydroxysteroid dehydrogenase type 1 inhibitors in diabetic ob/ob mice. Bioorg Med Chem Lett 22:2748-52 (2012) [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:
BDBM50382818
Synonyms:
CHEMBL2023430
Type:
Small organic molecule
Emp. Form.:
C26H28ClN3O4S
Mol. Mass.:
514.036
SMILES:
CN(C1C2CC3CC(C2)CC1C3)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1 |TLB:1:2:4:8.6.7,THB:6:5:2:8.7.9,6:7:4.5.11:2,9:7:4:11.10.2,9:10:4:8.6.7,(31.33,-9.37,;31.33,-7.83,;32.66,-7.06,;34.07,-7.53,;34.89,-9.07,;34.97,-7.52,;35.96,-6.36,;35.08,-5,;34.96,-6.43,;33.63,-4.49,;32.64,-5.64,;33.47,-7.02,;29.99,-7.06,;29.99,-5.52,;28.66,-7.83,;28.67,-9.38,;27.33,-10.15,;26,-9.37,;26.01,-7.84,;24.67,-7.06,;23.34,-7.83,;23.34,-9.38,;24.67,-10.15,;22,-10.14,;20.66,-9.37,;19.34,-10.15,;18,-9.38,;18,-7.83,;16.67,-7.06,;19.33,-7.06,;20.67,-7.83,;22,-7.05,;21.22,-5.71,;22.76,-5.71,;27.34,-7.07,)|
Structure:
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