Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50356337
Substrate
n/a
Meas. Tech.
ChEMBL_775374 (CHEMBL1912903)
IC50
113±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:
BDBM50356337
Synonyms:
CHEMBL1911412
Type:
Small organic molecule
Emp. Form.:
C19H24O2
Mol. Mass.:
284.3927
SMILES:
OC(=O)CC1(Cc2ccccc2)C2CC3CC(C2)CC1C3 |TLB:20:19:17:13.14.15,3:4:13.20.14:18.16.17,THB:20:14:4.19.18:17,15:14:4:18.16.17,15:16:4:13.20.14,3:4:17:13.14.15,5:4:13.20.14:18.16.17,(24.85,5.4,;26.19,4.63,;27.52,5.4,;26.18,3.09,;27.52,2.31,;26.78,.96,;25.24,.93,;24.46,2.26,;22.92,2.23,;22.17,.88,;22.97,-.44,;24.51,-.41,;28.72,3.59,;30.05,3.1,;31.45,3.44,;31.46,4.97,;30.06,5.55,;28.71,5.07,;29.02,4.32,;29.03,2.73,;30.43,2.17,)|
Structure:
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