Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50356346
Substrate
n/a
Meas. Tech.
ChEMBL_775374 (CHEMBL1912903)
IC50
776±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
More Info.:
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:
BDBM50356346
Synonyms:
CHEMBL1911403
Type:
Small organic molecule
Emp. Form.:
C18H21FO3
Mol. Mass.:
304.3559
SMILES:
OC1C2CC3CC1CC(C2)C3(CC(O)=O)c1ccc(F)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,11:10:5:3.2.1,15:10:3.9.2:7.6.5,(30.92,-7.82,;29.64,-8.68,;29.63,-10.2,;28.23,-10.55,;26.9,-10.06,;26.89,-8.58,;28.24,-8.1,;27.2,-9.33,;27.21,-10.92,;28.61,-11.48,;25.7,-11.34,;24.36,-10.56,;24.37,-9.02,;23.03,-8.25,;25.7,-8.25,;24.96,-12.69,;23.42,-12.72,;22.68,-14.06,;23.48,-15.38,;22.74,-16.74,;25.03,-15.35,;25.76,-14,)|