Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50197409
Substrate
n/a
Meas. Tech.
ChEMBL_453207 (CHEMBL902361)
Ki
7±n/a nM
Citation
 Sorensen, B; Winn, M; Rohde, J; Shuai, Q; Wang, J; Fung, S; Monzon, K; Chiou, W; Stolarik, D; Imade, H; Pan, L; Deng, X; Chovan, L; Longenecker, K; Judge, R; Qin, W; Brune, M; Camp, H; Frevert, EU; Jacobson, P; Link, JT Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors. Bioorg Med Chem Lett 17:527-32 (2007) [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:
BDBM50197409
Synonyms:
2-(2-chloro-4-fluoro-phenoxy)-N-(5-ethanesulfonyl-adamantan-2-yl)-2-methyl-propionamide | CHEMBL241709
Type:
Small organic molecule
Emp. Form.:
C22H29ClFNO4S
Mol. Mass.:
457.986
SMILES:
CCS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(F)cc1Cl)C(C3)C2 |w:7.6,9.9,27.29,wU:11.12,wD:5.4,TLB:8:7:29:10.9.11,8:9:6.7.28:29,THB:11:9:6:28.27.29,11:27:6:10.8.9,12:11:6.7.28:29,TEB:28:27:10:6.7.8,(16.68,2.77,;17.08,1.28,;18.56,.87,;18.97,2.37,;18.16,-.61,;20.06,.46,;18.87,-.81,;20.37,-.39,;21.78,-.96,;22.79,.32,;21.39,-.02,;22.8,1.85,;24.08,2.7,;25.46,2.01,;25.56,.48,;26.74,2.86,;25.89,4.15,;27.6,1.58,;28.03,3.71,;29.4,3.03,;29.5,1.49,;30.87,.81,;32.15,1.66,;33.54,.97,;32.06,3.2,;30.68,3.88,;30.58,5.42,;21.4,2.43,;20.36,1.2,;20.05,1.95,)|
Structure:
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