Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50384523
Substrate
n/a
Meas. Tech.
ChEMBL_821913 (CHEMBL2039559)
IC50
8±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:
BDBM50384523
Synonyms:
CHEMBL2036235
Type:
Small organic molecule
Emp. Form.:
C23H27Cl3N4O4S
Mol. Mass.:
561.909
SMILES:
NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:8:3:33:6.7.9,10:9:4.3.34:33,1:3:33:6.7.9,THB:8:7:4.3.34:33,9:7:4:34.32.33,9:32:4:6.8.7,(18.57,-17.5,;18.17,-16.01,;19.27,-14.93,;16.69,-15.6,;16.42,-17.14,;15.79,-15.51,;16.8,-14.53,;17.09,-13.12,;17.81,-14.58,;15.72,-12.44,;15.73,-10.9,;14.39,-10.13,;14.4,-8.59,;13.06,-10.89,;11.73,-10.12,;11.73,-8.57,;10.39,-7.79,;10.39,-6.25,;9.05,-8.57,;9.05,-10.12,;7.72,-10.89,;6.39,-10.12,;6.39,-8.58,;5.05,-10.9,;5.06,-12.44,;3.73,-13.22,;6.4,-13.2,;7.72,-12.43,;9.05,-13.2,;10.38,-10.88,;11.15,-12.22,;9.6,-12.21,;14.59,-13.45,;14.44,-14.87,;15.26,-14.93,)|
Structure:
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