Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50192789
Substrate
n/a
Meas. Tech.
ChEMBL_422286 (CHEMBL906986)
IC50
87±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:
BDBM50192789
Synonyms:
2-(4-chloro-phenoxy)-2-methyl-N-[(1S,2S,5R,7S)-5-(1H-tetrazol-5-ylmethyl)-adamantan-2-yl]-propionamide | CHEMBL424931
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@](Cc1nnn[nH]1)(C3)C2 |wU:17.31,14.14,wD:19.19,21.23,TLB:13:14:28.17.18:20,THB:16:17:20:29.15.14,16:15:28.17.18:20,(12.83,-4.34,;11.51,-5.13,;10.18,-4.35,;12.83,-5.91,;14.17,-5.15,;15.5,-5.95,;16.84,-5.19,;16.86,-3.65,;18.2,-2.89,;15.52,-2.87,;14.18,-3.63,;10.16,-5.88,;10.15,-7.42,;8.84,-5.1,;7.56,-5.95,;7.54,-7.48,;6.53,-8.75,;5.12,-8.19,;5.12,-6.6,;6.16,-5.37,;4.81,-5.85,;4.82,-7.33,;3.48,-6.56,;2.14,-7.33,;.74,-6.71,;-.29,-7.85,;.48,-9.18,;1.99,-8.86,;3.62,-8.61,;6.15,-7.82,)|
Structure:
Search PDB for entries with ligand similarity: