Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50537922
Substrate
n/a
Meas. Tech.
ChEMBL_1970845 (CHEMBL4603663)
IC50
1.000000±n/a nM
Citation
 Lee, JH; Bok, JH; Park, SB; Pagire, HS; Na, YJ; Rim, E; Jung, WH; Song, JS; Kang, NS; Seo, HW; Jung, KY; Lee, BH; Kim, KY; Ahn, JH Optimization of cyclic sulfamide derivatives as 11?-hydroxysteroid dehydrogenase 1 inhibitors for the potential treatment of ischemic brain injury. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50537922
Synonyms:
CHEMBL4645319
Type:
Small organic molecule
Emp. Form.:
C23H27Cl2F3N4O4S
Mol. Mass.:
583.451
SMILES:
NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(cc4Cl)C(F)(F)F)S1(=O)=O)C(C3)C2 |TLB:35:34:8:6.5.4,10:9:6.35.5:36.3.8,10:9:8:6.5.4,THB:35:5:9.34.36:8,4:5:9:36.3.8,4:3:9:6.35.5,(25.97,-44.51,;24.63,-43.75,;24.62,-42.21,;23.31,-44.52,;23.8,-45.96,;22.65,-46.97,;21.46,-46.15,;20.94,-44.82,;22.05,-43.83,;19.18,-44.78,;17.84,-45.53,;16.52,-44.75,;16.53,-43.21,;15.18,-45.51,;13.85,-44.73,;13.87,-43.19,;12.55,-42.41,;11.21,-43.16,;11.19,-44.7,;9.85,-45.46,;9.84,-46.99,;11.17,-47.77,;8.5,-47.75,;7.17,-46.96,;7.19,-45.42,;8.53,-44.67,;8.55,-43.13,;5.83,-47.72,;4.5,-46.94,;5.81,-49.26,;4.49,-48.48,;12.52,-45.49,;13.28,-46.82,;11.74,-46.81,;20.5,-45.63,;21.01,-47.06,;21.68,-44.56,)|
Structure:
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