Reaction Details Report a problem with these data
Target
Phospholipase A2
Ligand
BDBM55861
Substrate
n/a
Meas. Tech.
Dose response counterscreen of uHTS hits for ATG4B inhibitors in a Phospholipase A2 assay
IC50
52200±n/a nM
Citation
 PubChem, PC Dose response counterscreen of uHTS hits for ATG4B inhibitors in a Phospholipase A2 assay PubChem Bioassay (2011)[AID] 
Target
Name:
Phospholipase A2
Synonyms:
Group IB phospholipase A2 | PA21B_HUMAN | PLA2 | PLA2A | PLA2G1B | PPLA2 | Phosphatidylcholine 2-acylhydrolase 1B | Phospholipase A2 (PLA2) | Phospholipase A2 group 1B | phospholipase A2 precursor
Type:
Protein
Mol. Mass.:
16364.13
Organism:
Homo sapiens (Human)
Description:
P04054
Residue:
148
Sequence:
MKLLVLAVLLTVAAADSGISPRAVWQFRKMIKCVIPGSDPFLEYNNYGCYCGLGGSGTPVDELDKCCQTHDNCYDQAKKLDSCKFLLDNPYTHTYSYSCSGSAITCSSKNKECEAFICNCDRNAAICFSKAPYNKAHKNLDTKKYCQS
  
Inhibitor
Name:
BDBM55861
Synonyms:
5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid octyl ester | 5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-methyl-indole-3-carboxylic acid octyl ester;hydrobromide | 5-acetyloxy-6-bromo-2-[(carbamimidoylthio)methyl]-1-methyl-3-indolecarboxylic acid octyl ester;hydrobromide | MLS001029434 | SMR000425551 | cid_16681981 | octyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-methyl-indole-3-carboxylate;hydrobromide | octyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-methylindole-3-carboxylate;hydrobromide
Type:
Small organic molecule
Emp. Form.:
C22H30BrN3O4S
Mol. Mass.:
512.46
SMILES:
CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
Structure:
Search PDB for entries with ligand similarity: