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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394001
Substrate
n/a
Meas. Tech.
ChEMBL_856054 (CHEMBL2162171)
IC50
19±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:
BDBM50394001
Synonyms:
CHEMBL2158482
Type:
Small organic molecule
Emp. Form.:
C23H33N3O4
Mol. Mass.:
415.5258
SMILES:
CCCOc1nc(ccc1C(=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,(18.84,-18.34,;17.51,-19.11,;16.18,-18.34,;16.17,-16.8,;14.84,-16.03,;13.5,-16.81,;12.17,-16.03,;12.17,-14.49,;13.5,-13.72,;14.83,-14.48,;16.16,-13.71,;16.16,-12.17,;17.5,-14.47,;18.83,-13.7,;20,-12.39,;21.34,-12.86,;22.73,-12.48,;21.74,-13.78,;20.32,-13.24,;20.28,-11.65,;21.3,-10.4,;21.29,-8.86,;22.71,-10.96,;19.96,-10.91,;10.84,-16.81,;9.5,-16.03,;8.17,-16.79,;8.16,-18.33,;9.5,-19.11,;10.84,-18.34,)|
Structure:
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