Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50384519
Substrate
n/a
Meas. Tech.
ChEMBL_821913 (CHEMBL2039559)
IC50
1±n/a nM
Citation
 Kim, SHBok, JHLee, JHKim, IHKwon, SWLee, GBKang, SKPark, JSJung, WHKim, HYRhee, SDAhn, SHBae, MAHa, DCKim, KYAhn, 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:
BDBM50384519
Synonyms:
CHEMBL2036239
Type:
Small organic molecule
Emp. Form.:
C23H29Cl3N4O4S
Mol. Mass.:
563.925
SMILES:
NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:1:3:33:6.7.9,10:9:4.3.34:33,8:3:33:6.7.9,THB:8:7:4.3.34:33,9:7:4:34.32.33,9:32:4:6.8.7,(18.68,-16.84,;18.05,-15.43,;18.96,-14.19,;16.52,-15.27,;16.53,-16.75,;15.65,-15.33,;16.43,-14.23,;16.46,-12.86,;17.39,-14.11,;15.05,-12.47,;15.07,-10.93,;13.86,-9.97,;14.1,-8.44,;12.43,-10.53,;11.22,-9.56,;11.57,-8.05,;10.61,-6.85,;9.07,-6.84,;8.11,-8.04,;8.45,-9.55,;7.24,-10.51,;5.81,-9.93,;5.59,-8.41,;4.6,-10.89,;4.82,-12.42,;3.61,-13.37,;6.26,-12.98,;7.47,-12.03,;8.9,-12.59,;9.82,-10.22,;10.59,-11.55,;9.05,-11.55,;14.17,-13.62,;14.28,-14.97,;15.05,-14.88,)|
Structure:
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