Reaction Details  Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50445571
Substrate
n/a
Meas. Tech.
ChEMBL_1285731 (CHEMBL3107720)
IC50
335±n/a nM
Citation
 Ye, XY; Yoon, D; Chen, SY; Nayeem, A; Golla, R; Seethala, R; Wang, M; Harper, T; Sleczka, BG; Apedo, A; Li, YX; He, B; Kirby, M; Gordon, DA; Robl, JA Synthesis and structure-activity relationship of 2-adamantylmethyl tetrazoles as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1). Bioorg Med Chem Lett 24:654-60 (2014) [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:
BDBM50445571
Synonyms:
CHEMBL3103437
Type:
Small organic molecule
Emp. Form.:
C24H26N4
Mol. Mass.:
370.49
SMILES:
C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)|
Structure:
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