Reaction Details Report a problem with these data
Target
Phospholipase A2
Ligand
BDBM50377908
Substrate
n/a
Meas. Tech.
ChEMBL_549475 (CHEMBL997273)
IC50
35400±n/a nM
Citation
 De Rosa, S; Crispino, A; De Giulio, A; Iodice, C; Benrezzouk, R; Terencio, MC; Ferrándiz, ML; Alcaraz, MJ; Payá, M A new cacospongionolide inhibitor of human secretory phospholipase A2 from the Tyrrhenian sponge Fasciospongia cavernosa and absolute configuration of cacospongionolides. J Nat Prod 61:931-5 (1998) [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:
BDBM50377908
Synonyms:
CACOSPONGIONOLIDE B
Type:
Small organic molecule
Emp. Form.:
C25H36O4
Mol. Mass.:
400.5509
SMILES:
C[C@@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CCC1=CCC(OC1)C1=CC(=O)OC1O |t:18,25|
Structure:
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