Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50192799
Substrate
n/a
Meas. Tech.
ChEMBL_422286 (CHEMBL906986)
IC50
59±n/a nM
Citation
 Yeh, VSPatel, JRYong, HKurukulasuriya, RFung, SMonzon, KChiou, WWang, JStolarik, DImade, HBeno, DBrune, MJacobson, PSham, HLink, 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:
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:
BDBM50192799
Synonyms:
CHEMBL375979 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-adamantan-2-yl)-2-(6-morpholin-4-yl-pyridin-3-yl)-isobutyramide
Type:
Small organic molecule
Emp. Form.:
C25H36N4O3
Mol. Mass.:
440.5783
SMILES:
CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(nc1)N1CCOCC1 |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(17.63,-42.22,;16.3,-43,;14.97,-42.23,;14.96,-43.76,;14.94,-45.3,;13.63,-42.97,;12.35,-43.82,;12.33,-45.35,;11.32,-46.63,;9.91,-46.07,;9.91,-44.48,;10.95,-43.24,;9.6,-43.72,;9.61,-45.21,;8.27,-44.43,;6.93,-45.2,;5.59,-44.42,;6.92,-46.73,;8.41,-46.49,;10.94,-45.7,;17.62,-43.79,;17.59,-45.33,;18.91,-46.12,;20.26,-45.36,;20.27,-43.81,;18.95,-43.03,;21.58,-46.14,;21.56,-47.67,;22.88,-48.45,;24.22,-47.7,;24.24,-46.16,;22.91,-45.37,)|
Structure:
Search PDB for entries with ligand similarity: