Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334705
Substrate
n/a
Meas. Tech.
ChEMBL_699260 (CHEMBL1647080)
IC50
6±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:
BDBM50334705
Synonyms:
3-Benzenesulfonyl-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide | CHEMBL1642619
Type:
Small organic molecule
Emp. Form.:
C21H27N3O4S2
Mol. Mass.:
449.587
SMILES:
NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1)C(C3)C2 |TLB:10:9:29.8.3:6.5.28,10:9:28:29.3.4,8:3:9.7.6:28,THB:8:7:28:29.3.4,4:3:9:6.5.28,4:5:9:29.8.3,1:3:9:6.5.28,1:3:9.7.6:28,(22.28,-41.5,;21.46,-40.2,;22.17,-38.83,;19.92,-40.26,;19.93,-38.73,;18.53,-38.15,;17.49,-39.39,;17.5,-40.97,;18.9,-41.53,;16,-41.39,;14.66,-40.62,;13.33,-41.39,;11.99,-40.63,;13.33,-42.93,;14.58,-43.84,;14.1,-45.31,;12.56,-45.31,;12.09,-43.84,;10.74,-43.09,;9.96,-41.75,;11.5,-41.75,;9.42,-43.88,;8.08,-43.13,;6.76,-43.92,;6.78,-45.46,;8.14,-46.21,;9.45,-45.41,;17.19,-40.11,;17.18,-38.63,;18.52,-40.6,)|
Structure:
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