Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50197407
Substrate
n/a
Meas. Tech.
ChEMBL_453207 (CHEMBL902361)
Ki
38±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:
BDBM50197407
Synonyms:
2-(2-chloro-4-fluoro-phenoxy)-2-methyl-N-[5-(3-morpholin-4-yl-propane-1-sulfonyl)-adamantan-2-yl]-propionamide | CHEMBL240619
Type:
Small organic molecule
Emp. Form.:
C27H38ClFN2O5S
Mol. Mass.:
557.117
SMILES:
CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(=O)(=O)CCCN1CCOCC1 |w:20.20,18.19,16.27,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:18:21:24.16.15,17:16:23.18.19:21,15:20:23:24.17.16,TEB:19:18:24:20.21.15,19:20:24:23.18.17,(27.38,-7.62,;28.19,-8.93,;29.01,-10.24,;29.52,-8.15,;30.86,-8.91,;30.86,-10.44,;32.2,-11.21,;33.53,-10.42,;34.88,-11.19,;33.52,-8.88,;32.18,-8.13,;32.16,-6.59,;26.9,-9.78,;27.01,-11.32,;25.53,-9.09,;24.25,-9.94,;24.24,-11.47,;23.22,-12.75,;21.81,-12.18,;21.81,-10.59,;22.85,-9.37,;21.5,-9.85,;21.51,-11.33,;20.31,-12.61,;22.84,-11.82,;20.02,-10.92,;20.42,-9.43,;19.61,-12.41,;18.52,-10.51,;18.13,-9.02,;16.64,-8.62,;16.25,-7.13,;17.34,-6.05,;16.95,-4.57,;15.47,-4.16,;14.37,-5.25,;14.76,-6.74,)|
Structure:
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