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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50112140
Substrate
n/a
Meas. Tech.
ChEMBL_1512870 (CHEMBL3611792)
IC50
204±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:
BDBM50112140
Synonyms:
CHEMBL3609868 | US9464044, 68
Type:
Small organic molecule
Emp. Form.:
C22H30FN3O4S
Mol. Mass.:
451.555
SMILES:
CC(C)(CNS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:17:18:22:25.26.24,18:19:26:22.24.23,27:25:22:18.19.20,THB:28:25:22:18.19.20,18:23:26:27.19.20,27:19:22:25.26.24,(-5.85,-2.77,;-6.03,-1.55,;-7,-2.31,;-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,;-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,;3.07,1.16,;3.79,.16,;3.58,2.29,)|
Structure:
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