Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50356352
Substrate
n/a
Meas. Tech.
ChEMBL_775374 (CHEMBL1912903)
IC50
354±n/a nM
Citation
 Ye, XY; Chen, SY; Nayeem, A; Golla, R; Seethala, R; Wang, M; Harper, T; Sleczka, BG; Li, YX; He, B; Kirby, M; Gordon, DA; Robl, JA Design, synthesis, and SAR studies of novel polycyclic acids as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD-1). Bioorg Med Chem Lett 21:6699-704 (2011) [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:
BDBM50356352
Synonyms:
CHEMBL1909659
Type:
Small organic molecule
Emp. Form.:
C17H21FO3
Mol. Mass.:
292.3452
SMILES:
OC1CC2CCCC(C1)C2(CC(O)=O)c1ccc(F)cc1 |(-9,-36.85,;-7.46,-36.85,;-6.69,-38.19,;-5.15,-38.19,;-6.16,-37.73,;-6.77,-36.81,;-6.11,-35.9,;-5.15,-35.52,;-6.69,-35.52,;-4.37,-36.85,;-3.04,-36.08,;-3.05,-34.54,;-4.39,-33.77,;-1.72,-33.76,;-3.04,-37.62,;-3.03,-39.16,;-1.7,-39.92,;-.37,-39.15,;.97,-39.91,;-.38,-37.6,;-1.72,-36.84,)|
Structure:
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