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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50384534
Substrate
n/a
Meas. Tech.
ChEMBL_821913 (CHEMBL2039559)
IC50
15500±n/a nM
Citation
 Kim, SH; Bok, JH; Lee, JH; Kim, IH; Kwon, SW; Lee, GB; Kang, SK; Park, JS; Jung, WH; Kim, HY; Rhee, SD; Ahn, SH; Bae, MA; Ha, DC; Kim, KY; Ahn, JH Synthesis and biological evaluation of cyclic sulfamide derivatives as 11ß-hydroxysteroid dehydrogenase 1 inhibitors. ACS Med Chem Lett 3:88-93 (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:
BDBM50384534
Synonyms:
CHEMBL2036241
Type:
Small organic molecule
Emp. Form.:
C22H29FN4O4S
Mol. Mass.:
464.553
SMILES:
NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4ccc(F)cc4)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:8:3:30:6.7.9,10:9:4.3.31:30,1:3:30:6.7.9,THB:8:7:4.3.31:30,9:7:4:31.29.30,9:29:4:6.8.7,(18.33,-16.7,;17.94,-15.21,;19.03,-14.13,;16.46,-14.8,;16.18,-16.34,;15.55,-14.71,;16.56,-13.73,;16.86,-12.31,;17.57,-13.78,;15.49,-11.64,;15.49,-10.1,;14.16,-9.33,;14.17,-7.79,;12.82,-10.09,;11.49,-9.32,;11.49,-7.77,;10.16,-6.98,;8.82,-7.77,;8.82,-9.32,;7.49,-10.09,;6.15,-9.32,;4.82,-10.09,;4.83,-11.64,;3.5,-12.42,;6.16,-12.4,;7.48,-11.63,;10.15,-10.08,;10.91,-11.42,;9.37,-11.41,;14.36,-12.65,;14.21,-14.07,;15.02,-14.13,)|
Structure:
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