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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50400158
Substrate
n/a
Meas. Tech.
ChEMBL_878465 (CHEMBL2187379)
IC50
33±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:
BDBM50400158
Synonyms:
CHEMBL2179007
Type:
Small organic molecule
Emp. Form.:
C22H30N4O4
Mol. Mass.:
414.498
SMILES:
O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4COC4)nc1OC1CCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:28.3.4,8:7:6.29.1:28.3.4,8:7:4:6.1.2,THB:0:1:7.27.28:4,2:1:7:28.3.4,2:3:7:6.29.1,29:27:4:6.1.2,29:1:7.27.28:4,(48.03,-46.21,;46.5,-46.19,;45.46,-45.07,;44.04,-45.62,;43.39,-46.89,;44.42,-47.97,;45.72,-47.41,;44.43,-49.71,;43.1,-50.49,;41.76,-49.73,;41.75,-48.18,;40.43,-50.5,;39.09,-49.74,;37.76,-50.51,;37.76,-52.05,;36.42,-52.82,;35.09,-52.05,;34.69,-50.56,;33.2,-50.96,;33.6,-52.45,;39.09,-52.83,;40.43,-52.05,;41.77,-52.82,;41.77,-54.36,;40.68,-55.45,;41.77,-56.54,;42.86,-55.45,;45.23,-48.39,;44.06,-47.06,;46.64,-47.82,)|
Structure:
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