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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2 group 1VB' and Ligand = 'BDBM50110859'   
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 group 1VB


(Homo sapiens (Human))
BDBM50110859
PNG
(CHEMBL26200 | {4-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(CC(O)=O)cc2)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-31-24-14-16-26(17-15-24)33-21-23(28)20-32-25-12-10-22(11-13-25)19-27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110859
PNG
(CHEMBL26200 | {4-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(CC(O)=O)cc2)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-31-24-14-16-26(17-15-24)33-21-23(28)20-32-25-12-10-22(11-13-25)19-27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair