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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394017
Substrate
n/a
Meas. Tech.
ChEMBL_856054 (CHEMBL2162171)
IC50
25±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:
BDBM50394017
Synonyms:
CHEMBL2158470
Type:
Small organic molecule
Emp. Form.:
C23H33N3O3S
Mol. Mass.:
431.591
SMILES:
CCCSc1nc(ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)N1CCOCC1 |r,wU:13.13,wD:20.22,TLB:17:18:23:15.16.22,17:16:13.18.19:23,21:20:13:15.17.16,THB:12:13:23:15.16.22,22:16:13:19.20.23,22:20:13:15.17.16,(2.84,-3.33,;1.5,-4.1,;.17,-3.33,;.17,-1.79,;-1.17,-1.02,;-2.5,-1.79,;-3.84,-1.02,;-3.84,.52,;-2.51,1.29,;-1.17,.53,;.16,1.3,;.15,2.84,;1.49,.54,;2.82,1.31,;3.99,2.62,;5.33,2.15,;6.72,2.53,;5.73,1.23,;4.31,1.77,;4.28,3.36,;5.29,4.61,;5.28,6.15,;6.7,4.06,;3.96,4.1,;-5.17,-1.8,;-6.5,-1.02,;-7.83,-1.78,;-7.84,-3.32,;-6.51,-4.1,;-5.17,-3.33,)|
Structure:
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