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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50394005
Substrate
n/a
Meas. Tech.
ChEMBL_878465 (CHEMBL2187379)
IC50
335±n/a nM
Citation
 Goldberg, FW; Leach, AG; Scott, JS; Snelson, WL; Groombridge, SD; Donald, CS; Bennett, SN; Bodin, C; Gutierrez, PM; Gyte, AC Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. J Med Chem 55:10652-61 (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:
BDBM50394005
Synonyms:
CHEMBL2158486
Type:
Small organic molecule
Emp. Form.:
C23H32N4O3
Mol. Mass.:
412.5252
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(nc1C1CCC1)N1CCOCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:4.28.3,28:27:6:4.3.2,THB:8:7:6:4.3.2,28:3:7.27.29:6,2:3:7:29.1.6,2:1:7:4.28.3,(39.78,-24.32,;39.79,-25.87,;41.19,-26.42,;41.21,-27.95,;39.82,-28.32,;38.49,-27.85,;38.45,-26.37,;37.32,-29.16,;35.99,-29.94,;34.65,-29.17,;34.65,-27.63,;33.32,-29.95,;31.99,-29.18,;30.66,-29.95,;30.66,-31.5,;31.99,-32.27,;33.33,-31.5,;34.66,-32.26,;34.65,-33.8,;36.19,-33.81,;36.2,-32.27,;29.32,-32.27,;27.99,-31.49,;26.66,-32.26,;26.65,-33.8,;27.98,-34.57,;29.33,-33.81,;38.81,-28.7,;40.22,-29.24,;38.77,-27.11,)|
Structure:
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