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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.7
BDBM50206914

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50206914
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCOCC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)OCCCCCCCCC
Show InChI InChI=1S/C30H50N2O5/c1-3-5-7-9-11-13-15-21-34-24-28(35-22-16-14-12-10-8-6-4-2)25-36-27-19-17-26(18-20-27)23-29-31-30(33)37-32-29/h17-20,28H,3-16,21-25H2,1-2H3,(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 by fluorimetric assay


J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50206914
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCOCC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)OCCCCCCCCC
Show InChI InChI=1S/C30H50N2O5/c1-3-5-7-9-11-13-15-21-34-24-28(35-22-16-14-12-10-8-6-4-2)25-36-27-19-17-26(18-20-27)23-29-31-30(33)37-32-29/h17-20,28H,3-16,21-25H2,1-2H3,(H,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of pig group IB PLA2 by fluorimetric assay


J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair