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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394027
Substrate
n/a
Meas. Tech.
ChEMBL_856054 (CHEMBL2162171)
IC50
139±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:
BDBM50394027
Synonyms:
CHEMBL2158480
Type:
Small organic molecule
Emp. Form.:
C20H26N2O2
Mol. Mass.:
326.4326
SMILES:
Cc1ccc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(n1)C1CC1 |r,wU:8.7,wD:15.16,TLB:16:15:8:10.12.11,12:13:18:10.11.17,12:11:8.13.14:18,THB:7:8:18:10.11.17,17:11:8:14.15.18,17:15:8:10.12.11,(14.59,-3.52,;15.93,-2.75,;15.93,-1.21,;17.26,-.43,;18.59,-1.2,;19.92,-.42,;19.92,1.12,;21.26,-1.19,;22.59,-.41,;23.76,.89,;25.09,.43,;26.48,.8,;25.49,-.5,;24.08,.04,;24.04,1.63,;25.06,2.88,;25.05,4.43,;26.47,2.33,;23.72,2.38,;18.6,-2.75,;17.26,-3.52,;19.93,-3.51,;20.7,-4.85,;21.47,-3.51,)|
Structure:
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