Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50193789
Substrate
n/a
Meas. Tech.
ChEMBL_424103 (CHEMBL856749)
IC50
32±n/a nM
Citation
 Yeh, VS; Kurukulasuriya, R; Fung, S; Monzon, K; Chiou, W; Wang, J; Stolarik, D; Imade, H; Shapiro, R; Knourek-Segel, V; Bush, E; Wilcox, D; Nguyen, PT; Brune, M; Jacobson, P; Link, JT Discovery of orally active butyrolactam 11beta-HSD1 inhibitors. Bioorg Med Chem Lett 16:5555-60 (2006) [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:
BDBM50193789
Synonyms:
4-[3,3-dimethyl-2-oxo-4-(4-[1,2,4]triazol-1-yl-phenoxymethyl)-pyrrolidin-1-yl]-adamantane-1-carboxylic acid amide | CHEMBL385777
Type:
Small organic molecule
Emp. Form.:
C26H33N5O3
Mol. Mass.:
463.5719
SMILES:
CC1(C)C(COc2ccc(cc2)-n2cncn2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(-.43,-1.62,;-1.75,-.86,;-1.31,.62,;-2.24,-2.32,;-1.33,-3.57,;.21,-3.53,;1.01,-4.85,;.26,-6.2,;1.06,-7.51,;2.6,-7.48,;3.34,-6.12,;2.54,-4.81,;3.39,-8.79,;4.92,-8.92,;5.27,-10.41,;3.96,-11.21,;2.8,-10.21,;-3.78,-2.32,;-4.25,-.86,;-5.72,-.38,;-7.03,-.97,;-8.56,-.38,;-8.62,1.16,;-7.17,1.68,;-5.71,1.15,;-6.71,2.33,;-8.15,1.74,;-9.56,2.37,;-8.02,.21,;-8.16,3.29,;-9.49,4.05,;-6.82,4.07,;-3.01,.05,;-3.01,1.6,)|
Structure:
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