Reaction Details Report a problem with these data
Target
Phospholipase A2
Ligand
BDBM50336351
Substrate
n/a
Meas. Tech.
ChEMBL_716743 (CHEMBL1670625)
IC50
23900±n/a nM
Citation
 Wang, J; Bourguet-Kondracki, ML; Longeon, A; Dubois, J; Valentin, A; Copp, BR Chemical and biological explorations of the electrophilic reactivity of the bioactive marine natural product halenaquinone with biomimetic nucleophiles. Bioorg Med Chem Lett 21:1261-4 (2011) [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:
Apis mellifera
Description:
ChEMBL_1277435
Residue:
167
Sequence:
MQVVLGSLFLLLLSTSHGWQIRDRIGDNELEERIIYPGTLWCGHGNKSSGPNELGRFKHTDACCRTHDMCPDVMSAGESKHGLTNTASHTRLSCDCDDKFYDCLKNSADTISSYFVGKMYFNLIDTKCYKLEHPVTGCGERTEGRCLHYTVDKSKPKVYQWFDLRKY
  
Inhibitor
Name:
BDBM50336351
Synonyms:
(S)-5-hydroxy-12b-methyl-4-((pentylamino)methylene)-1,2-dihydrotetraphene-3,6,8,11(4H,12bH)-tetraone | CHEMBL1668039
Type:
Small organic molecule
Emp. Form.:
C25H25NO5
Mol. Mass.:
419.4697
SMILES:
CCCCCNC=C1C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3[C@]2(C)CCC1=O |r,w:6.5,c:18|
Structure:
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