Reaction Details Report a problem with these data
Target
Phospholipase A2
Ligand
BDBM50336352
Substrate
n/a
Meas. Tech.
ChEMBL_716743 (CHEMBL1670625)
IC50
12800±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:
BDBM50336352
Synonyms:
(S)-tert-butyl 2-((5-hydroxy-12b-methyl-3,6,8,11-tetraoxo-1,2,3,12b-tetrahydrotetraphen-4(6H,8H,11H)-ylidene)methylamino)ethylcarbamate | CHEMBL1668040
Type:
Small organic molecule
Emp. Form.:
C27H28N2O7
Mol. Mass.:
492.5204
SMILES:
CC(C)(C)OC(=O)NCCNC=C1C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3[C@]2(C)CCC1=O |r,w:11.10,c:23|
Structure:
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