Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50356336
Substrate
n/a
Meas. Tech.
ChEMBL_775374 (CHEMBL1912903)
IC50
155±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:
BDBM50356336
Synonyms:
CHEMBL1911413
Type:
Small organic molecule
Emp. Form.:
C19H23ClO2
Mol. Mass.:
318.838
SMILES:
OC(=O)CC1(Cc2ccccc2Cl)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,3:4:14.21.15:19.17.18,THB:21:15:4.20.19:18,16:15:4:19.17.18,16:17:4:14.21.15,3:4:18:14.15.16,5:4:14.21.15:19.17.18,(-6.8,-7.84,;-5.47,-8.62,;-4.13,-7.85,;-5.47,-10.16,;-4.13,-10.94,;-4.87,-12.29,;-6.41,-12.32,;-7.2,-10.99,;-8.74,-11.02,;-9.48,-12.37,;-8.68,-13.69,;-7.15,-13.66,;-6.35,-14.97,;-2.93,-9.66,;-1.6,-10.15,;-.21,-9.8,;-.2,-8.27,;-1.59,-7.69,;-2.94,-8.17,;-2.63,-8.93,;-2.63,-10.52,;-1.22,-11.08,)|