Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50356341
Substrate
n/a
Meas. Tech.
ChEMBL_775374 (CHEMBL1912903)
IC50
105±n/a nM
Citation
 Ye, XY; Chen, SY; Nayeem, A; Golla, R; Seethala, R; Wang, M; Harper, T; Sleczka, BG; Li, YX; He, B; Kirby, M; Gordon, DA; Robl, JA Design, synthesis, and SAR studies of novel polycyclic acids as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD-1). Bioorg Med Chem Lett 21:6699-704 (2011) [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:
BDBM50356341
Synonyms:
CHEMBL1911408
Type:
Small organic molecule
Emp. Form.:
C18H21ClO2
Mol. Mass.:
304.811
SMILES:
OC(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 |TLB:13:12:10:6.7.8,3:4:6.13.7:11.9.10,THB:13:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.13.7,3:4:10:6.7.8,14:4:6.13.7:11.9.10,(6.49,-37.27,;7.83,-38.04,;9.16,-37.27,;7.82,-39.58,;9.17,-40.36,;10.36,-39.08,;11.69,-39.57,;13.09,-39.23,;13.1,-37.7,;11.7,-37.12,;10.36,-37.6,;10.66,-38.35,;10.67,-39.94,;12.08,-40.51,;8.42,-41.71,;6.88,-41.74,;6.14,-43.09,;6.94,-44.41,;6.2,-45.76,;8.49,-44.37,;9.23,-43.02,)|
Structure:
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