Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334709
Substrate
n/a
Meas. Tech.
ChEMBL_699260 (CHEMBL1647080)
IC50
4±n/a nM
Citation
 Kwon, SW; Kang, SK; Lee, JH; Bok, JH; Kim, CH; Dal Rhee, S; Jung, WH; Kim, HY; Bae, MA; Song, JS; Ha, DC; Cheon, HG; Kim, KY; Ahn, JH Synthesis and 11ß hydroxysteroid dehydrogenase 1 inhibition of thiazolidine derivatives with an adamantyl group. Bioorg Med Chem Lett 21:435-9 (2010) [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:
BDBM50334709
Synonyms:
3-(3-Fluoro-benzenesulfonyl)-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide | CHEMBL1642623
Type:
Small organic molecule
Emp. Form.:
C21H26FN3O4S2
Mol. Mass.:
467.577
SMILES:
NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1cccc(F)c1)C(C3)C2 |TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(54.1,-20.21,;53.28,-18.91,;54,-17.55,;51.74,-18.97,;51.75,-17.44,;50.36,-16.86,;49.32,-18.1,;49.32,-19.68,;50.73,-20.25,;47.82,-20.1,;46.49,-19.33,;45.16,-20.11,;43.82,-19.34,;45.16,-21.65,;46.41,-22.55,;45.93,-24.02,;44.39,-24.02,;43.92,-22.55,;42.57,-21.81,;41.79,-20.46,;43.33,-20.46,;41.25,-22.6,;41.28,-24.13,;39.96,-24.92,;38.61,-24.17,;38.59,-22.63,;37.24,-21.88,;39.91,-21.84,;49.02,-18.83,;49.01,-17.34,;50.35,-19.32,)|
Structure:
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