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SMILES: OC(=O)c1ccc(OCC(=O)COc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)cc1

InChI Key: InChIKey=AAUFAGRZNAKLLR-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50110876   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytosolic phospholipase A2 beta


(Homo sapiens (Human))
BDBM50110876
PNG
(4-{3-[4-(4-Nitro-benzyloxy)-phenoxy]-2-oxo-propoxy...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C23H19NO8/c25-19(14-31-20-7-3-17(4-8-20)23(26)27)15-32-22-11-9-21(10-12-22)30-13-16-1-5-18(6-2-16)24(28)29/h1-12H,13-15H2,(H,26,27)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2 beta


(Homo sapiens (Human))
BDBM50110876
PNG
(4-{3-[4-(4-Nitro-benzyloxy)-phenoxy]-2-oxo-propoxy...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C23H19NO8/c25-19(14-31-20-7-3-17(4-8-20)23(26)27)15-32-22-11-9-21(10-12-22)30-13-16-1-5-18(6-2-16)24(28)29/h1-12H,13-15H2,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.30E+3n/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)


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