Reaction Details Report a problem with these data
Target
Phospholipase A2, major isoenzyme
Ligand
BDBM50316458
Substrate
n/a
Meas. Tech.
ChEMBL_630281 (CHEMBL1108229)
IC50
7400±n/a nM
Citation
 Meddad-Belhabich, N; Aoun, D; Djimdé, A; Redeuilh, C; Dive, G; Massicot, F; Chau, F; Heymans, F; Lamouri, A Design of new potent and selective secretory phospholipase A(2) inhibitors. 6-Synthesis, structure-activity relationships and molecular modelling of 1-substituted-4-[4,5-dihydro-1,2,4-(4H)-oxadiazol-5-one-3-yl(methyl)]-functionalized aryl piperazin/one/dione derivatives. Bioorg Med Chem 18:3588-600 (2010) [PubMed]  Article 
Target
Name:
Phospholipase A2, major isoenzyme
Synonyms:
Group IB phospholipase A2 | PA21B_PIG | PLA2G1B | Phosphatidylcholine 2-acylhydrolase | Phospholipase A2
Type:
Hydrolase; monomer or homodimer
Mol. Mass.:
16279.83
Organism:
Sus scrofa (pig)
Description:
Purchased from Sigma.
Residue:
146
Sequence:
MKFLVLAVLLTVGAAQEGISSRALWQFRSMIKCAIPGSHPLMDFNNYGCYCGLGGSGTPVDELDRCCETHDNCYRDAKNLDSCKFLVDNPYTESYSYSCSNTEITCNSKNNACEAFICNCDRNAAICFSKAPYNKEHKNLDTKKYC
  
Inhibitor
Name:
BDBM50316458
Synonyms:
1-[4-(4,5-Dihydro-1,2,4-(4H)-5-oxo-oxadiazol-3-ylmethyl)benzoyl]-4-(4-octadecyl oxyphenyl)piperazine | CHEMBL1099341
Type:
Small organic molecule
Emp. Form.:
C38H56N4O4
Mol. Mass.:
632.8756
SMILES:
CCCCCCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
Structure:
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