Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50195286
Substrate
n/a
Meas. Tech.
ChEMBL_424847 (CHEMBL907397)
Ki
26±n/a nM
Citation
 Sorensen, B; Rohde, J; Wang, J; Fung, S; Monzon, K; Chiou, W; Pan, L; Deng, X; Stolarik, D; Frevert, EU; Jacobson, P; Link, JT Adamantane 11-beta-HSD-1 inhibitors: Application of an isocyanide multicomponent reaction. Bioorg Med Chem Lett 16:5958-62 (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:
BDBM50195286
Synonyms:
4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclopentanecarbonyl}-amino)-adamantane-1-carboxylic acid amide | CHEMBL373792
Type:
Small organic molecule
Emp. Form.:
C27H36F3N5O2
Mol. Mass.:
519.6022
SMILES:
NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-7.41,-1.52,;-6.63,-.19,;-7.39,1.14,;-5.09,-.2,;-6.29,-1.48,;-4.79,-1.06,;-3.38,-1.62,;-2.37,-.35,;-3.76,-.69,;-2.36,1.18,;-1.07,2.03,;.3,1.35,;.4,-.19,;1.58,2.21,;2.67,3.3,;1.97,4.67,;.44,4.43,;.21,2.9,;2.96,1.52,;3.05,-.01,;4.43,-.7,;5.71,.15,;5.62,1.69,;4.24,2.38,;7.09,-.54,;7.17,-2.07,;8.55,-2.76,;9.84,-1.92,;9.74,-.37,;8.36,.31,;11.21,-2.6,;12.54,-3.37,;10.43,-3.92,;11.97,-1.26,;-3.75,1.76,;-4.79,.53,;-5.1,1.28,)|
Structure:
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