Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50356342
Substrate
n/a
Meas. Tech.
ChEMBL_775374 (CHEMBL1912903)
IC50
103±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:
BDBM50356342
Synonyms:
CHEMBL1911407
Type:
Small organic molecule
Emp. Form.:
C19H24O2
Mol. Mass.:
284.3927
SMILES:
Cc1ccc(cc1)C1(CC(O)=O)C2CC3CC(C2)CC1C3 |TLB:20:19:17:13.14.15,8:7:13.20.14:18.16.17,THB:20:14:7.19.18:17,15:14:7:18.16.17,15:16:7:13.20.14,8:7:17:13.14.15,4:7:13.20.14:18.16.17,(-7.42,-42.44,;-6.68,-41.09,;-7.48,-39.77,;-6.74,-38.42,;-5.2,-38.4,;-4.4,-39.7,;-5.14,-41.05,;-4.46,-37.05,;-5.8,-36.27,;-5.8,-34.73,;-7.13,-33.95,;-4.46,-33.96,;-3.27,-35.77,;-1.94,-36.26,;-.54,-35.91,;-.53,-34.38,;-1.93,-33.81,;-3.27,-34.28,;-2.97,-35.04,;-2.96,-36.63,;-1.56,-37.19,)|