Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target11-beta-hydroxysteroid dehydrogenase 1
LigandBDBM50202099
Substrate/Competitorn/a
Meas. Tech.ChEMBL_423355 (CHEMBL909896)
Ki 110±n/a nM
Citation Rohde, JJPliushchev, MASorensen, BKWodka, DShuai, QWang, JFung, SMonzon, KMChiou, WJPan, LDeng, XChovan, LERamaiya, AMullally, MHenry, RFStolarik, DFImade, HMMarsh, KCBeno, DWFey, TADroz, BABrune, MECamp, HSSham, HLFrevert, EUJacobson, PBLink, JT Discovery and metabolic stabilization of potent and selective 2-amino-N-(adamant-2-yl) acetamide 11beta-hydroxysteroid dehydrogenase type 1 inhibitors. J Med Chem50:149-64 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
11-beta-hydroxysteroid dehydrogenase 1
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:
MAVMKNYLLPILVLFLAYYYYSTNEEFRPEMLQGKKVIVTGASKGIGREMAYHLSKMGAH
VVLTARSEEGLQKVVSRCLELGAASAHYIAGTMEDMTFAEQFIVKAGKLMGGLDMLILNH
ITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQSNGSIAVISSLAGKMTQPMI
APYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDTETAMKEISGIINAQASPKEE
CALEIIKGTALRKSEVYYDKSPLTPILLGNPGRKIMEFFSLRYYNKDMFVSN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50202099
n/a
NameBDBM50202099
Synonyms:CHEMBL218358 | N-[(Z)-5-fluoro-2-adamantyl]-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}acetamide
TypeSmall organic molecule
Emp. Form.C22H28F4N4O
Mol. Mass.440.4775
SMILESFC(F)(F)c1ccc(nc1)N1CCN(CC(=O)N[C@H]2C3CC4CC2C[C@@](F)(C4)C3)CC1 |r,wU:18.18,25.27,TLB:28:25:22:20.19.18,18:19:27:24.23.22,17:18:27.25.24:22,26:25:22:20.19.18,THB:28:19:27.25.24:22,18:23:27:20.28.19,(27.71,-3.18,;26.4,-2.38,;25.59,-3.69,;27.23,-1.08,;25.1,-1.55,;23.74,-2.27,;22.44,-1.44,;22.51,.1,;23.87,.81,;25.16,-.01,;21.21,.92,;19.87,.16,;18.55,.93,;18.56,2.48,;17.22,3.23,;15.9,2.44,;15.92,.9,;14.55,3.18,;13.23,2.39,;13.15,.87,;11.74,.58,;10.43,1.13,;10.49,2.61,;11.86,3.03,;10.77,1.84,;10.7,.26,;10.64,-1.27,;9.18,-.09,;12.08,-.37,;19.88,3.24,;21.22,2.46,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: