Reaction Details Report a problem with these data
Target
Phospholipase A2
Ligand
BDBM50524136
Substrate
n/a
Meas. Tech.
ChEMBL_1892158 (CHEMBL4394079)
IC50
>1000±n/a nM
Citation
 Husain, A; Khan, SA; Iram, F; Iqbal, MA; Asif, M Insights into the chemistry and therapeutic potential of furanones: A versatile pharmacophore. Eur J Med Chem 171:66-92 (2019) [PubMed]  Article 
Target
Name:
Phospholipase A2
Synonyms:
Allergen Api m I | Allergen=Api m 1 | PA2_APIME | Phosphatidylcholine 2-acylhydrolase | Phospholipase A2 (Bee)
Type:
PROTEIN
Mol. Mass.:
19061.47
Organism:
Honeybee
Description:
ChEMBL_1277435
Residue:
167
Sequence:
MQVVLGSLFLLLLSTSHGWQIRDRIGDNELEERIIYPGTLWCGHGNKSSGPNELGRFKHTDACCRTHDMCPDVMSAGESKHGLTNTASHTRLSCDCDDKFYDCLKNSADTISSYFVGKMYFNLIDTKCYKLEHPVTGCGERTEGRCLHYTVDKSKPKVYQWFDLRKY
  
Inhibitor
Name:
BDBM50524136
Synonyms:
CHEMBL4553594
Type:
Small organic molecule
Emp. Form.:
C46H60N2O12
Mol. Mass.:
832.9748
SMILES:
CC(C)(C)C(=O)OC(CCCCCCCCCCCCC(OC(=O)C(C)(C)C)C1=CC(=O)OC1OC(=O)Nc1ccccc1)C1=CC(=O)OC1OC(=O)Nc1ccccc1 |t:28,46|
Structure:
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