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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50400155
Substrate
n/a
Meas. Tech.
ChEMBL_878465 (CHEMBL2187379)
IC50
19±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:
BDBM50400155
Synonyms:
CHEMBL2179010
Type:
Small organic molecule
Emp. Form.:
C24H34N4O4
Mol. Mass.:
442.5512
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCOCC4)nc1OC1CCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(16.09,-4.04,;14.56,-4.02,;13.52,-2.9,;12.1,-3.45,;11.45,-4.72,;12.48,-5.8,;13.78,-5.24,;12.49,-7.54,;11.16,-8.32,;9.82,-7.55,;9.82,-6.01,;8.49,-8.33,;7.15,-7.56,;5.83,-8.33,;5.82,-9.88,;4.49,-10.65,;3.15,-9.88,;3.16,-8.34,;1.84,-7.57,;.5,-8.33,;.49,-9.87,;1.83,-10.65,;7.16,-10.65,;8.5,-9.88,;9.83,-10.65,;9.83,-12.19,;8.75,-13.28,;9.84,-14.37,;10.93,-13.27,;13.29,-6.21,;12.12,-4.89,;14.7,-5.65,)|
Structure:
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