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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394009
Substrate
n/a
Meas. Tech.
ChEMBL_856054 (CHEMBL2162171)
IC50
78±n/a nM
Citation
 Scott, JS; Gill, AL; Godfrey, L; Groombridge, SD; Rees, A; Revill, J; Schofield, P; Sörme, P; Stocker, A; Swales, JG; Whittamore, PR Optimisation of pharmacokinetic properties in a neutral series of 11ß-HSD1 inhibitors. Bioorg Med Chem Lett 22:6756-61 (2012) [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:
BDBM50394009
Synonyms:
CHEMBL2158535
Type:
Small organic molecule
Emp. Form.:
C22H32N4O4
Mol. Mass.:
416.5139
SMILES:
CCCOc1nc(ncc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:21:20:13:15.17.16,17:18:23:15.16.22,17:16:13.18.19:23,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(26.63,-7.07,;25.3,-7.84,;23.96,-7.07,;23.96,-5.53,;22.62,-4.76,;21.29,-5.54,;19.95,-4.76,;19.96,-3.22,;21.28,-2.45,;22.62,-3.21,;23.95,-2.44,;23.94,-.9,;25.29,-3.2,;26.61,-2.43,;27.78,-1.12,;29.12,-1.59,;30.51,-1.21,;29.52,-2.51,;28.11,-1.97,;28.07,-.38,;29.09,.87,;29.07,2.41,;30.49,.31,;27.75,.36,;18.62,-5.54,;17.29,-4.76,;15.96,-5.52,;15.95,-7.06,;17.28,-7.84,;18.62,-7.07,)|
Structure:
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