Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50197419
Substrate
n/a
Meas. Tech.
ChEMBL_453207 (CHEMBL902361)
Ki
8±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:
BDBM50197419
Synonyms:
2-(4-chloro-phenoxy)-2-methyl-N-(5-methylsulfamoyl-adamantan-2-yl)-propionamide | CHEMBL392913
Type:
Small organic molecule
Emp. Form.:
C21H29ClN2O4S
Mol. Mass.:
440.984
SMILES:
CNS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C3)C2 |w:7.7,9.9,26.28,wU:11.12,wD:5.4,TLB:8:9:6.7.27:28,THB:11:9:6:27.26.28,11:26:6:10.8.9,12:11:6.7.27:28,TEB:8:7:28:10.9.11,27:26:10:6.7.8,(17.16,-7.35,;17.55,-8.84,;19.05,-9.24,;19.45,-7.75,;18.64,-10.72,;20.54,-9.65,;19.35,-10.93,;20.85,-10.51,;22.25,-11.07,;23.27,-9.8,;21.87,-10.14,;23.28,-8.27,;24.56,-7.42,;25.94,-8.1,;26.03,-9.64,;27.22,-7.25,;26.41,-5.95,;28.04,-8.56,;28.55,-6.47,;29.89,-7.23,;29.9,-8.77,;31.23,-9.53,;32.56,-8.75,;33.9,-9.51,;32.55,-7.2,;31.21,-6.45,;21.88,-7.69,;20.84,-8.92,;20.53,-8.17,)|
Structure:
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