Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50192790
Substrate
n/a
Meas. Tech.
ChEMBL_422286 (CHEMBL906986)
IC50
26±n/a nM
Citation
 Yeh, VS; Patel, JR; Yong, H; Kurukulasuriya, R; Fung, S; Monzon, K; Chiou, W; Wang, J; Stolarik, D; Imade, H; Beno, D; Brune, M; Jacobson, P; Sham, H; Link, JT Synthesis and biological evaluation of heterocycle containing adamantane 11beta-HSD1 inhibitors. Bioorg Med Chem Lett 16:5414-9 (2006) [PubMed]  Article 
Target
Name:
11-beta-hydroxysteroid dehydrogenase 1
Synonyms:
11beta-HSD1A | 11-DH | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | 11-beta-HSD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 11-beta-hydroxysteroid dehydrogenase 1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | DHI1_MOUSE | Hsd11b1 | Hsd11
Type:
Enzyme
Mol. Mass.:
32369.70
Organism:
Mouse
Description:
P50172
Residue:
292
Sequence:
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAHVVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNHITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMIAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEECALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
  
Inhibitor
Name:
BDBM50192790
Synonyms:
2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(N-hydroxycarbamimidoyl)-adamantan-2-yl]-2-methyl-propionamide | CHEMBL375744
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO |wU:17.17,14.14,wD:19.19,21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(4.02,-11.24,;2.7,-12.02,;1.37,-11.25,;4.02,-12.81,;5.37,-12.05,;6.69,-12.85,;8.03,-12.09,;8.05,-10.55,;9.39,-9.79,;6.71,-9.77,;5.38,-10.52,;1.36,-12.78,;1.34,-14.32,;.03,-11.99,;-1.25,-12.84,;-1.27,-14.37,;-2.28,-15.65,;-3.69,-15.09,;-3.69,-13.5,;-2.65,-12.27,;-4,-12.74,;-3.99,-14.23,;-5.19,-15.51,;-2.66,-14.72,;-5.33,-13.45,;-6.67,-14.22,;-5.33,-11.91,;-6.66,-11.14,)|
Structure:
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